G4VC55_SCHMA Loading...

Venom allergen-like (VAL) 11 protein AlphaSync

AlphaFold DB , UniProt , Accession G4VC55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 400 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49Very low84.6Confident182 Ų18269.7 Ų69.790%0.89734%0.337SS*.  0137.10-144.6131.9-164.400106.9D5M1-D5 HydrophobicContact CB-CB 4.48Å; M1-D5 HydrophobicContact CE-CB 4.07Å; M1-D5 HydrophobicContact CG-CB 3.39Å
2S71.6Confident85.3Confident58 Ų5866.1 Ų66.141%0.40632%0.318SS..  trans-78.5160.717772.50000110.6L4 D5 D6S2-L4 PolarHBondContact O-N 3.08Å; S2-L4 VanDerWaalsContact O-N 3.09Å; S2-D5 WeakPolarHBondContact CB-OD2 3.35Å; S2-D5 PolarHBondContact N-OD2 3.27Å; S2-D5 WeakPolarHBondContact O-CB 3.26Å; S2-D5 PolarHBondContact O-N 3.38Å; S2-D5 PolarHBondContact OG-N 3.44Å; S2-D5 PolarHBondContact OG-OD2 2.85Å; S2-D6 PolarHBondContact O-N 3.17Å; S2-D6 VanDerWaalsContact O-N 3.13Å
3R81.4Confident85.4Confident187 Ų18769.8 Ų69.871%0.70633%0.327SS*.Hα-helixtrans-54.9-28.7174.5-177.9177.9177.7175.70.4112.8F7 D76R3-F7 PolarHBondContact O-N 3.48Å; R3-D76 IonicContact CZ-OD2 2.94Å; R3-D76 IonicContact NE-OD2 2.66Å; R3-D76 IonicContact NH2-OD2 2.69Å; R3-D76 PolarHBondContact NH2-OD2 2.81Å
4L91Very high86Confident47 Ų4765.1 Ų65.125%0.24631%0.306CS..Hα-helixtrans-75.9-36177.2-176.759.6000112S2 F7 R8 K120S2-L4 PolarHBondContact O-N 3.08Å; S2-L4 VanDerWaalsContact O-N 3.09Å; L4-F7 HydrophobicContact CD1-CD1 4.25Å; L4-F7 WeakPolarHBondContact O-CB 3.36Å; L4-F7 PolarHBondContact O-N 3.28Å; L4-R8 VanDerWaalsContact O-CG 3.31Å; L4-R8 WeakPolarHBondContact O-CG 3.21Å; L4-R8 PolarHBondContact O-N 2.82Å; L4-K120 HydrophobicContact CD1-CB 4.03Å
5D84.8Confident86.8Confident54 Ų5460.7 Ų60.729%0.28929%0.285SS..Hα-helixtrans-67.3-41.8176.5-58-40.1000111.1M1 S2 F7 R8 E9M1-D5 HydrophobicContact CB-CB 4.48Å; M1-D5 HydrophobicContact CE-CB 4.07Å; M1-D5 HydrophobicContact CG-CB 3.39Å; S2-D5 WeakPolarHBondContact CB-OD2 3.35Å; S2-D5 PolarHBondContact N-OD2 3.27Å; S2-D5 WeakPolarHBondContact O-CB 3.26Å; S2-D5 PolarHBondContact O-N 3.38Å; S2-D5 PolarHBondContact OG-N 3.44Å; S2-D5 PolarHBondContact OG-OD2 2.85Å; D5-F7 VanDerWaalsContact C-N 3.29Å; D5-F7 PolarHBondContact O-N 2.66Å; D5-R8 PolarHBondContact O-N 3.41Å; D5-R8 IonicContact OD1-NH1 3.34Å; D5-E9 PolarHBondContact O-N 2.93Å
6D85.5Confident87Confident93 Ų9358.2 Ų58.250%0.49727%0.274SS..Hα-helixtrans-61.9-39.6174.9-64.8-22.4000111.2S2 D10S2-D6 PolarHBondContact O-N 3.17Å; S2-D6 VanDerWaalsContact O-N 3.13Å; D6-D10 VanDerWaalsContact O-CB 3.31Å; D6-D10 WeakPolarHBondContact O-CB 3.5Å; D6-D10 PolarHBondContact O-N 3.3Å
7F95.5Very high87Confident8 Ų860.9 Ų60.94%0.03529%0.287CS..Hα-helixtrans-64.2-43174.4170.2-93.1000112.6R3 L4 D5 D10 C11 M77 G79 K120 V129R3-F7 PolarHBondContact O-N 3.48Å; L4-F7 HydrophobicContact CD1-CD1 4.25Å; L4-F7 WeakPolarHBondContact O-CB 3.36Å; L4-F7 PolarHBondContact O-N 3.28Å; D5-F7 VanDerWaalsContact C-N 3.29Å; D5-F7 PolarHBondContact O-N 2.66Å; F7-D10 PolarHBondContact O-N 3.03Å; F7-C11 VanDerWaalsContact CE1-SG 3.51Å; F7-C11 WeakPolarHBondContact CZ-SG 3.45Å; F7-C11 PolarHBondContact O-N 3.46Å; F7-C11 PolarHBondContact O-SG 2.83Å; F7-M77 WeakPolarHBondContact CE2-O 3.16Å; F7-G79 VanDerWaalsContact CE2-CA 3.44Å; F7-K120 HydrophobicContact CD1-CB 3.91Å; F7-K120 HydrophobicContact CD1-CD 3.86Å; F7-K120 HydrophobicContact CD2-CD 3.6Å; F7-K120 HydrophobicContact CE1-CB 3.58Å; F7-K120 HydrophobicContact CE1-CD 3.8Å; F7-K120 HydrophobicContact CE1-CG 4.31Å; F7-K120 HydrophobicContact CE2-CD 3.52Å; F7-K120 HydrophobicContact CG-CD 3.77Å; F7-K120 HydrophobicContact CZ-CB 4.04Å; F7-K120 HydrophobicContact CZ-CD 3.63Å; F7-K120 HydrophobicContact CZ-CG 4.35Å; F7-V129 HydrophobicContact CE1-CG1 4.26Å; F7-V129 HydrophobicContact CE1-CG2 4.27Å; F7-V129 HydrophobicContact CE2-CG2 4.17Å; F7-V129 HydrophobicContact CZ-CB 4.3Å; F7-V129 HydrophobicContact CZ-CG1 3.74Å; F7-V129 HydrophobicContact CZ-CG2 3.49Å; F7-V129 VanDerWaalsContact CZ-CG2 3.49Å
8R95.9Very high87.5Confident31 Ų3159.7 Ų59.712%0.11728%0.281CS..Hα-helixtrans-63.4-44.6177.7-76.4166.4171.7156.6-1.1111.3L4 D5 D10 C11 F12 D34 F118L4-R8 VanDerWaalsContact O-CG 3.31Å; L4-R8 WeakPolarHBondContact O-CG 3.21Å; L4-R8 PolarHBondContact O-N 2.82Å; D5-R8 PolarHBondContact O-N 3.41Å; D5-R8 IonicContact OD1-NH1 3.34Å; R8-D10 VanDerWaalsContact C-N 3.34Å; R8-C11 PolarHBondContact O-N 2.83Å; R8-F12 VanDerWaalsContact O-CB 3.29Å; R8-F12 WeakPolarHBondContact O-CB 3.42Å; R8-F12 PolarHBondContact O-N 2.05Å; R8-D34 WeakPolarHBondContact CD-OD2 3.46Å; R8-D34 IonicContact NE-OD1 3.18Å; R8-D34 IonicContact NE-OD2 2.67Å; R8-F118 HydrophobicContact CG-CB 4.15Å; R8-F118 PolarHBondContact NE-O 2.97Å
9E84.6Confident87.8Confident88 Ų8856.6 Ų56.641%0.41127%0.266SS..Hα-helixtrans-64-39.9175.8-178.356.7-150.600111.6D5 F12 R13D5-E9 PolarHBondContact O-N 2.93Å; E9-F12 PolarHBondContact O-N 3.36Å; E9-R13 WeakPolarHBondContact O-CB 3.46Å; E9-R13 PolarHBondContact O-N 3.47Å
10D93Very high87.6Confident19 Ų1957.1 Ų57.110%0.10227%0.27CS..Hα-helixtrans-62.5-45175.1-168.348.8000112.2D6 F7 R8 R13 A14 G79 H80D6-D10 VanDerWaalsContact O-CB 3.31Å; D6-D10 WeakPolarHBondContact O-CB 3.5Å; D6-D10 PolarHBondContact O-N 3.3Å; F7-D10 PolarHBondContact O-N 3.03Å; R8-D10 VanDerWaalsContact C-N 3.34Å; D10-R13 IonicContact OD1-CZ 2.76Å; D10-R13 IonicContact OD1-NH1 2.73Å; D10-R13 IonicContact OD1-NH2 3.43Å; D10-R13 PolarHBondContact OD1-NH2 2.94Å; D10-A14 WeakPolarHBondContact O-CB 3.23Å; D10-A14 PolarHBondContact O-N 2.58Å; D10-A14 VanDerWaalsContact O-N 3.12Å; D10-G79 VanDerWaalsContact OD2-CA 3.3Å; D10-G79 WeakPolarHBondContact OD2-CA 3.31Å; D10-G79 PolarHBondContact OD2-N 3.09Å; D10-H80 IonicContact OD1-ND1 2.69Å; D10-H80 IonicContact OD2-CE1 2.66Å; D10-H80 IonicContact OD2-CG 3.98Å; D10-H80 PolarHBondContact OD2-N 2.93Å; D10-H80 IonicContact OD2-ND1 3.69Å; D10-H80 PolarHBondContact OD2-ND1 2.97Å
11C98.2Very high87.7Confident0 Ų057.7 Ų57.70%028%0.275CS..Hα-helixtrans-59.3-50.1172.1-69.20000111.2F7 R8 R13 A14 H15 G79 V83 F118F7-C11 VanDerWaalsContact CE1-SG 3.51Å; F7-C11 WeakPolarHBondContact CZ-SG 3.45Å; F7-C11 PolarHBondContact O-N 3.46Å; F7-C11 PolarHBondContact O-SG 2.83Å; R8-C11 PolarHBondContact O-N 2.83Å; C11-R13 PolarHBondContact O-N 2.88Å; C11-A14 PolarHBondContact O-N 2.66Å; C11-H15 WeakPolarHBondContact O-CB 2.84Å; C11-H15 PolarHBondContact O-N 3.35Å; C11-G79 WeakPolarHBondContact SG-CA 3.21Å; C11-V83 HydrophobicContact CB-CG2 4.36Å; C11-F118 HydrophobicContact CB-CB 4.42Å; C11-F118 HydrophobicContact CB-CD1 3.64Å; C11-F118 HydrophobicContact CB-CD2 3.75Å; C11-F118 HydrophobicContact CB-CE1 3.69Å; C11-F118 HydrophobicContact CB-CE2 3.8Å; C11-F118 HydrophobicContact CB-CG 3.67Å; C11-F118 HydrophobicContact CB-CZ 3.76Å
12F92.9Very high89.7Confident26 Ų2649.2 Ų49.211%0.11423%0.233CC..Hα-helixtrans-60.3-46.9-175.4179.5-114.8000112.1R8 E9 H15 N16 L27 H29 V116 F118R8-F12 VanDerWaalsContact O-CB 3.29Å; R8-F12 WeakPolarHBondContact O-CB 3.42Å; R8-F12 PolarHBondContact O-N 2.05Å; E9-F12 PolarHBondContact O-N 3.36Å; F12-H15 PolarHBondContact O-N 2.69Å; F12-N16 WeakPolarHBondContact CE2-ND2 3.47Å; F12-N16 WeakPolarHBondContact CZ-ND2 3.4Å; F12-N16 PolarHBondContact O-N 3.25Å; F12-N16 VanDerWaalsContact O-N 3.09Å; F12-L27 WeakPolarHBondContact CE2-O 3.27Å; F12-L27 WeakPolarHBondContact CZ-O 3.12Å; F12-H29 HydrophobicContact CD1-CB 4.4Å; F12-H29 HydrophobicContact CD2-CB 3.88Å; F12-H29 HydrophobicContact CE1-CB 4.33Å; F12-H29 HydrophobicContact CE2-CB 3.79Å; F12-H29 VanDerWaalsContact CE2-N 3.33Å; F12-H29 HydrophobicContact CG-CB 4.18Å; F12-H29 HydrophobicContact CZ-CB 4.02Å; F12-V116 HydrophobicContact CD2-CG1 4Å; F12-V116 HydrophobicContact CE2-CG1 4.34Å; F12-F118 HydrophobicContact CB-CE2 3.95Å; F12-F118 HydrophobicContact CD2-CE2 4.45Å
13R86.4Confident90Very high114 Ų11447.1 Ų47.143%0.4322%0.22SC..Hα-helixtrans-61-53.1176.8-174.517968.4-102.5-3.5111.3E9 D10 C11 H15 N16 E17E9-R13 WeakPolarHBondContact O-CB 3.46Å; E9-R13 PolarHBondContact O-N 3.47Å; D10-R13 IonicContact OD1-CZ 2.76Å; D10-R13 IonicContact OD1-NH1 2.73Å; D10-R13 IonicContact OD1-NH2 3.43Å; D10-R13 PolarHBondContact OD1-NH2 2.94Å; C11-R13 PolarHBondContact O-N 2.88Å; R13-H15 VanDerWaalsContact C-N 3.27Å; R13-H15 PolarHBondContact O-N 2.67Å; R13-N16 PolarHBondContact O-N 3.27Å; R13-E17 WeakPolarHBondContact O-CG 3.41Å; R13-E17 PolarHBondContact O-N 3.18Å
14A94.4Very high90Very high4 Ų438.3 Ų38.33%0.03319%0.187CC..Hα-helixtrans-59.8-39179.600000111.8D10 C11 E17 K18 H80 V83D10-A14 WeakPolarHBondContact O-CB 3.23Å; D10-A14 PolarHBondContact O-N 2.58Å; D10-A14 VanDerWaalsContact O-N 3.12Å; C11-A14 PolarHBondContact O-N 2.66Å; A14-E17 PolarHBondContact O-N 2.75Å; A14-K18 WeakPolarHBondContact O-CG 3.37Å; A14-K18 PolarHBondContact O-N 3.28Å; A14-K18 VanDerWaalsContact O-N 3.08Å; A14-H80 HydrophobicContact CB-CB 3.89Å; A14-V83 HydrophobicContact CB-CB 3.94Å; A14-V83 HydrophobicContact CB-CG1 3.89Å; A14-V83 HydrophobicContact CB-CG2 4.25Å
15H97.4Very high89.4Confident0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-62.4-48-179.7-163.6-70.1000110.9C11 F12 R13 E17 K18 R19 V83 L108 F118 Y133C11-H15 WeakPolarHBondContact O-CB 2.84Å; C11-H15 PolarHBondContact O-N 3.35Å; F12-H15 PolarHBondContact O-N 2.69Å; R13-H15 VanDerWaalsContact C-N 3.27Å; R13-H15 PolarHBondContact O-N 2.67Å; H15-E17 PolarHBondContact O-N 2.65Å; H15-K18 PolarHBondContact O-N 2.85Å; H15-R19 WeakPolarHBondContact ND1-CD 3.49Å; H15-R19 WeakPolarHBondContact O-CG 3.42Å; H15-R19 PolarHBondContact O-N 3.32Å; H15-V83 HydrophobicContact CB-CG1 4.35Å; H15-V83 HydrophobicContact CB-CG2 4.47Å; H15-L108 PolarHBondContact CE1-O 3.38Å; H15-L108 WeakPolarHBondContact NE2-CG 3.3Å; H15-F118 HydrophobicContact CB-CZ 4.27Å; H15-Y133 AromaticContact CE1-CE1 3.73Å; H15-Y133 AromaticContact NE2-CE1 3.22Å; H15-Y133 WeakPolarHBondContact NE2-CE1 3.35Å; H15-Y133 AromaticContact NE2-CZ 3.53Å; H15-Y133 PolarHBondContact NE2-OH 3.22Å
16N90Very high89.2Confident20 Ų2035.8 Ų35.811%0.10718%0.179CC..Hα-helixtrans-68.9-32.7178.5-78.4-30.3000113.4F12 R13 R19 L20 A26 L27F12-N16 WeakPolarHBondContact CE2-ND2 3.47Å; F12-N16 WeakPolarHBondContact CZ-ND2 3.4Å; F12-N16 PolarHBondContact O-N 3.25Å; F12-N16 VanDerWaalsContact O-N 3.09Å; R13-N16 PolarHBondContact O-N 3.27Å; N16-R19 PolarHBondContact O-N 3.25Å; N16-L20 WeakPolarHBondContact O-CB 3.41Å; N16-L20 PolarHBondContact O-N 2.92Å; N16-A26 HydrophobicContact CB-CB 4.34Å; N16-A26 VanDerWaalsContact OD1-CA 3.32Å; N16-A26 WeakPolarHBondContact OD1-CA 3.39Å; N16-L27 PolarHBondContact ND2-O 3.44Å; N16-L27 PolarHBondContact OD1-N 2.79Å
17E87.9Confident89.4Confident105 Ų10531.5 Ų31.549%0.49116%0.156SC..Hα-helixtrans-59.6-46.2169.9-74.9172.5-173.200111.4R13 A14 H15 L20 L21R13-E17 WeakPolarHBondContact O-CG 3.41Å; R13-E17 PolarHBondContact O-N 3.18Å; A14-E17 PolarHBondContact O-N 2.75Å; H15-E17 PolarHBondContact O-N 2.65Å; E17-L20 WeakPolarHBondContact O-CB 3.43Å; E17-L20 PolarHBondContact O-N 3.38Å; E17-L21 PolarHBondContact O-N 3.13Å
18K95.7Very high88.7Confident39 Ų3934.2 Ų34.217%0.1717%0.167CC..Hα-helixtrans-63.6-46.1176.1-62.9-47.2-179.9175.30111.6A14 H15 L20 L21 H22 V83 N84 H87 L108A14-K18 WeakPolarHBondContact O-CG 3.37Å; A14-K18 PolarHBondContact O-N 3.28Å; A14-K18 VanDerWaalsContact O-N 3.08Å; H15-K18 PolarHBondContact O-N 2.85Å; K18-L20 PolarHBondContact O-N 2.86Å; K18-L21 HydrophobicContact CD-CD1 4.08Å; K18-L21 VanDerWaalsContact O-CB 3.3Å; K18-L21 WeakPolarHBondContact O-CB 3.46Å; K18-L21 PolarHBondContact O-N 2.71Å; K18-H22 PolarHBondContact O-CD2 3.37Å; K18-H22 VanDerWaalsContact O-CD2 3.29Å; K18-H22 PolarHBondContact O-N 3.37Å; K18-V83 HydrophobicContact CG-CG1 4.09Å; K18-N84 WeakPolarHBondContact CE-OD1 3.3Å; K18-N84 PolarHBondContact NZ-OD1 2.96Å; K18-H87 HydrophobicContact CD-CB 4.2Å; K18-H87 HydrophobicContact CG-CB 4.02Å; K18-L108 HydrophobicContact CB-CD2 3.71Å; K18-L108 HydrophobicContact CG-CD2 4.44Å
19R92.8Very high88.1Confident0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-55.6-39.9176.8-75.3-176.469.383.9-2.1112.6H15 N16 L21 H22 G23 V24 C25 L27 L108 W110H15-R19 WeakPolarHBondContact ND1-CD 3.49Å; H15-R19 WeakPolarHBondContact O-CG 3.42Å; H15-R19 PolarHBondContact O-N 3.32Å; N16-R19 PolarHBondContact O-N 3.25Å; R19-L21 VanDerWaalsContact C-N 3.33Å; R19-L21 PolarHBondContact O-N 2.86Å; R19-H22 CarbonylContact O-C 3.46Å; R19-H22 PolarHBondContact O-N 3.09Å; R19-H22 VanDerWaalsContact O-N 3.1Å; R19-G23 PolarHBondContact O-N 3.03Å; R19-V24 HydrophobicContact CB-CG2 3.7Å; R19-V24 HydrophobicContact CG-CG2 3.99Å; R19-V24 WeakPolarHBondContact O-CG2 3.46Å; R19-V24 PolarHBondContact O-N 2.87Å; R19-V24 VanDerWaalsContact O-N 3.17Å; R19-C25 VanDerWaalsContact CZ-O 3.31Å; R19-C25 PolarHBondContact NE-O 3.2Å; R19-C25 PolarHBondContact NH2-O 3.42Å; R19-L27 VanDerWaalsContact CZ-CD2 3.4Å; R19-L108 WeakPolarHBondContact CD-O 3.38Å; R19-L108 VanDerWaalsContact CG-O 3.31Å; R19-L108 WeakPolarHBondContact CG-O 3.12Å; R19-L108 PolarHBondContact NH1-O 3.49Å; R19-W110 PolarHBondContact NH1-O 3.18Å; R19-W110 PolarHBondContact NH2-O 2.8Å; R19-W110 VanDerWaalsContact NH2-O 3.1Å
20L84.6Confident88.2Confident67 Ų6731.4 Ų31.435%0.35116%0.155SC..Hα-helixtrans-60.7-39175.5-177.460.7000112.8N16 E17 K18 H22 G23 V157 F165N16-L20 WeakPolarHBondContact O-CB 3.41Å; N16-L20 PolarHBondContact O-N 2.92Å; E17-L20 WeakPolarHBondContact O-CB 3.43Å; E17-L20 PolarHBondContact O-N 3.38Å; K18-L20 PolarHBondContact O-N 2.86Å; L20-H22 PolarHBondContact O-N 3.25Å; L20-G23 PolarHBondContact O-N 3.14Å; L20-V157 HydrophobicContact CD1-CG1 4.2Å; L20-V157 HydrophobicContact CD2-CG1 3.87Å; L20-V157 HydrophobicContact CG-CG1 4.16Å; L20-F165 HydrophobicContact CD1-CE2 3.85Å; L20-F165 HydrophobicContact CD1-CZ 3.83Å
21L89.3Confident87.7Confident70 Ų7036.8 Ų36.837%0.36618%0.183SC..Hα-helixtrans-58.5-35.5175.4-60.2176000112E17 K18 R19 G23 P150 K151E17-L21 PolarHBondContact O-N 3.13Å; K18-L21 HydrophobicContact CD-CD1 4.08Å; K18-L21 VanDerWaalsContact O-CB 3.3Å; K18-L21 WeakPolarHBondContact O-CB 3.46Å; K18-L21 PolarHBondContact O-N 2.71Å; R19-L21 VanDerWaalsContact C-N 3.33Å; R19-L21 PolarHBondContact O-N 2.86Å; L21-G23 VanDerWaalsContact C-N 3.3Å; L21-P150 CarbonylContact O-C 3.48Å; L21-P150 VanDerWaalsContact O-CA 3.3Å; L21-P150 WeakPolarHBondContact O-CA 3.3Å; L21-K151 PolarHBondContact O-N 3.19Å
22H90.1Very high87Confident3 Ų338.1 Ų38.11%0.01419%0.194CC..THydrogen-bonded Turntrans-87.31.7178.6-68-94.3000113.2K18 R19 L20 V24 H87 F105 V109 F148K18-H22 PolarHBondContact O-CD2 3.37Å; K18-H22 VanDerWaalsContact O-CD2 3.29Å; K18-H22 PolarHBondContact O-N 3.37Å; R19-H22 CarbonylContact O-C 3.46Å; R19-H22 PolarHBondContact O-N 3.09Å; R19-H22 VanDerWaalsContact O-N 3.1Å; L20-H22 PolarHBondContact O-N 3.25Å; H22-V24 VanDerWaalsContact C-N 3.29Å; H22-V24 PolarHBondContact O-N 3.16Å; H22-H87 AromaticContact CD2-NE2 3.69Å; H22-H87 AromaticContact NE2-CD2 3.85Å; H22-H87 AromaticContact NE2-CE1 3.91Å; H22-H87 AromaticContact NE2-NE2 2.93Å; H22-H87 PolarHBondContact NE2-NE2 3.47Å; H22-F105 AromaticContact CE1-CE2 3.57Å; H22-F105 AromaticContact CE1-CZ 3.62Å; H22-F105 AromaticContact NE2-CE2 3.73Å; H22-V109 HydrophobicContact CB-CB 4.32Å; H22-V109 HydrophobicContact CB-CG1 4.36Å; H22-F148 PolarHBondContact ND1-O 3.39Å
23G78Confident87Confident14 Ų1436.9 Ų36.914%0.14419%0.189CC..THydrogen-bonded Turntrans69.624.8177.600000113.9R19 L20 L21 F165R19-G23 PolarHBondContact O-N 3.03Å; L20-G23 PolarHBondContact O-N 3.14Å; L21-G23 VanDerWaalsContact C-N 3.3Å; G23-F165 VanDerWaalsContact C-CZ 3.45Å
24V83Confident87.4Confident3 Ų331.6 Ų31.62%0.01817%0.169CC..  trans-107.2151.5177.2-59.10000111.1R19 H22 F148 F165R19-V24 HydrophobicContact CB-CG2 3.7Å; R19-V24 HydrophobicContact CG-CG2 3.99Å; R19-V24 WeakPolarHBondContact O-CG2 3.46Å; R19-V24 PolarHBondContact O-N 2.87Å; R19-V24 VanDerWaalsContact O-N 3.17Å; H22-V24 VanDerWaalsContact C-N 3.29Å; H22-V24 PolarHBondContact O-N 3.16Å; V24-F148 HydrophobicContact CG1-CD2 3.53Å; V24-F148 HydrophobicContact CG1-CE2 3.79Å; V24-F165 WeakPolarHBondContact O-CE2 3.48Å
25C78Confident87.3Confident14 Ų1437.3 Ų37.310%0.09519%0.193CC..PPolyproline II helixtrans-58.2145-177.1-54.10000112.3R19 C207 I208 N209R19-C25 VanDerWaalsContact CZ-O 3.31Å; R19-C25 PolarHBondContact NE-O 3.2Å; R19-C25 PolarHBondContact NH2-O 3.42Å; C25-C207 PolarHBondContact SG-SG 3.14Å; C25-I208 PolarHBondContact SG-O 2.83Å; C25-N209 PolarHBondContact SG-OD1 2.92Å
26A79.9Confident87.2Confident33 Ų3338.8 Ų38.827%0.27320%0.202SC..PPolyproline II helixtrans-60.2143.1171.100000110.6N16N16-A26 HydrophobicContact CB-CB 4.34Å; N16-A26 VanDerWaalsContact OD1-CA 3.32Å; N16-A26 WeakPolarHBondContact OD1-CA 3.39Å
27L89.1Confident87.6Confident3 Ų337.9 Ų37.92%0.01620%0.197CC..PPolyproline II helixtrans-79.5156.2170.7-56-174.7000110.2F12 N16 R19 T113 R114 V116 Y133F12-L27 WeakPolarHBondContact CE2-O 3.27Å; F12-L27 WeakPolarHBondContact CZ-O 3.12Å; N16-L27 PolarHBondContact ND2-O 3.44Å; N16-L27 PolarHBondContact OD1-N 2.79Å; R19-L27 VanDerWaalsContact CZ-CD2 3.4Å; L27-T113 HydrophobicContact CD1-CG2 3.96Å; L27-T113 VanDerWaalsContact CD2-C 3.41Å; L27-T113 HydrophobicContact CD2-CG2 3.8Å; L27-T113 WeakPolarHBondContact CD2-O 3.28Å; L27-R114 CarbonylContact C-O 3.56Å; L27-R114 VanDerWaalsContact CA-O 3.26Å; L27-R114 WeakPolarHBondContact CA-O 3.35Å; L27-V116 HydrophobicContact CB-CG1 3.95Å; L27-V116 HydrophobicContact CD1-CB 3.76Å; L27-V116 HydrophobicContact CD1-CG1 3.82Å; L27-Y133 HydrophobicContact CD1-CD1 4.08Å; L27-Y133 HydrophobicContact CD1-CE1 4.18Å
28R82.6Confident88.1Confident66 Ų6633.8 Ų33.825%0.24918%0.178CC..EExtended strand (participates in β ladder)trans-85.8143.2164-171-173.966.3-147.86.1110.1R114 E115 V116 E182 Y212R28-R114 PolarHBondContact N-O 3.09Å; R28-E115 HydrophobicContact CB-CB 4.29Å; R28-E115 IonicContact CZ-OE2 3.34Å; R28-E115 IonicContact NE-OE2 3.62Å; R28-E115 IonicContact NH2-OE2 3.44Å; R28-E115 PolarHBondContact NH2-OE2 3.27Å; R28-E115 CarbonylContact O-C 3.52Å; R28-E115 WeakPolarHBondContact O-CA 3.38Å; R28-E115 WeakPolarHBondContact O-CB 3.21Å; R28-V116 PolarHBondContact O-N 3.23Å; R28-E182 IonicContact CZ-OE1 3.18Å; R28-E182 IonicContact NH1-OE1 2.86Å; R28-E182 IonicContact NH2-OE1 3.9Å; R28-E182 PolarHBondContact NH2-OE1 2.96Å; R28-Y212 PolarHBondContact NH1-OH 2.99Å
29H82.6Confident88.2Confident55 Ų5535.5 Ų35.526%0.25519%0.189SC..EExtended strand (participates in β ladder)trans-77.5133.6169.4-175.5-130.8000110.6F12 D34 V116F12-H29 HydrophobicContact CD1-CB 4.4Å; F12-H29 HydrophobicContact CD2-CB 3.88Å; F12-H29 HydrophobicContact CE1-CB 4.33Å; F12-H29 HydrophobicContact CE2-CB 3.79Å; F12-H29 VanDerWaalsContact CE2-N 3.33Å; F12-H29 HydrophobicContact CG-CB 4.18Å; F12-H29 HydrophobicContact CZ-CB 4.02Å; H29-D34 IonicContact CD2-OD1 2.68Å; H29-D34 IonicContact CE1-OD1 3.97Å; H29-D34 IonicContact CE1-OD2 2.71Å; H29-D34 PolarHBondContact CE1-OD2 3.01Å; H29-D34 IonicContact NE2-OD1 3.95Å; H29-D34 PolarHBondContact NE2-OD1 3.49Å; H29-D34 IonicContact NE2-OD2 3.73Å; H29-D34 PolarHBondContact NE2-OD2 3.18Å; H29-V116 WeakPolarHBondContact CA-O 3.47Å
30S85.8Confident88.4Confident5 Ų537 Ų374%0.03520%0.195CC..  trans-124.6110.7-174.5-177.10000111.2A32 L33 D34 E115 V116S30-A32 PolarHBondContact O-N 2.79Å; S30-L33 PolarHBondContact O-N 2.9Å; S30-L33 VanDerWaalsContact O-N 3.08Å; S30-D34 PolarHBondContact O-N 3.39Å; S30-E115 WeakPolarHBondContact CB-OE2 3.45Å; S30-E115 PolarHBondContact OG-OE2 3.23Å; S30-V116 PolarHBondContact N-O 3.32Å
31L82.3Confident89Confident132 Ų13233.8 Ų33.869%0.69118%0.178SC*.Hα-helixtrans-63.3-30.3178.5-62.1178.5000112.4D34 K35L31-D34 WeakPolarHBondContact O-CB 3.47Å; L31-D34 PolarHBondContact O-N 3.33Å; L31-K35 PolarHBondContact O-N 3.28Å
32A84.1Confident89.4Confident27 Ų2735.1 Ų35.122%0.22318%0.183CC..Hα-helixtrans-66-41.217400000111.2S30 K35 T36S30-A32 PolarHBondContact O-N 2.79Å; A32-K35 PolarHBondContact O-N 3.29Å; A32-T36 PolarHBondContact O-N 3.43Å
33L93.8Very high89.7Confident0 Ų036.9 Ų36.90%020%0.198CC..Hα-helixtrans-70.5-38.2174.6-65.7-178.5000111.8S30 K35 T36 A37 V61 E115 H132 R134S30-L33 PolarHBondContact O-N 2.9Å; S30-L33 VanDerWaalsContact O-N 3.08Å; L33-K35 PolarHBondContact O-N 2.91Å; L33-T36 PolarHBondContact O-N 3.44Å; L33-T36 PolarHBondContact O-OG1 2.84Å; L33-A37 VanDerWaalsContact O-CB 3.24Å; L33-A37 WeakPolarHBondContact O-CB 3.47Å; L33-A37 PolarHBondContact O-N 2.88Å; L33-V61 HydrophobicContact CD2-CG1 3.95Å; L33-E115 HydrophobicContact CD1-CB 4.4Å; L33-E115 HydrophobicContact CD1-CG 3.74Å; L33-H132 HydrophobicContact CB-CB 4.25Å; L33-H132 HydrophobicContact CD2-CB 4.03Å; L33-R134 HydrophobicContact CD1-CB 4.11Å; L33-R134 HydrophobicContact CD1-CG 4.3Å; L33-R134 HydrophobicContact CD2-CG 4.18Å
34D93.9Very high90.5Very high3 Ų336.3 Ų36.32%0.01619%0.191CC..Hα-helixtrans-54-45.5172.7-78.7-12.5000110.9R8 H29 S30 L31 Q38 G117 F118R8-D34 WeakPolarHBondContact CD-OD2 3.46Å; R8-D34 IonicContact NE-OD1 3.18Å; R8-D34 IonicContact NE-OD2 2.67Å; H29-D34 IonicContact CD2-OD1 2.68Å; H29-D34 IonicContact CE1-OD1 3.97Å; H29-D34 IonicContact CE1-OD2 2.71Å; H29-D34 PolarHBondContact CE1-OD2 3.01Å; H29-D34 IonicContact NE2-OD1 3.95Å; H29-D34 PolarHBondContact NE2-OD1 3.49Å; H29-D34 IonicContact NE2-OD2 3.73Å; H29-D34 PolarHBondContact NE2-OD2 3.18Å; S30-D34 PolarHBondContact O-N 3.39Å; L31-D34 WeakPolarHBondContact O-CB 3.47Å; L31-D34 PolarHBondContact O-N 3.33Å; D34-Q38 WeakPolarHBondContact O-CB 3.34Å; D34-Q38 PolarHBondContact O-N 3.25Å; D34-G117 WeakPolarHBondContact OD1-CA 3.47Å; D34-F118 PolarHBondContact OD1-N 3.35Å
35K92.2Very high91Very high124 Ų12438.4 Ų38.454%0.53920%0.202SC..Hα-helixtrans-60.3-53.8178.6-172.6-171.2179.5-60.10110.8L31 A32 L33 A37 Q38 D39L31-K35 PolarHBondContact O-N 3.28Å; A32-K35 PolarHBondContact O-N 3.29Å; L33-K35 PolarHBondContact O-N 2.91Å; K35-A37 VanDerWaalsContact C-N 3.32Å; K35-A37 PolarHBondContact O-N 3.04Å; K35-Q38 WeakPolarHBondContact O-CB 3.37Å; K35-Q38 PolarHBondContact O-N 3.49Å; K35-D39 IonicContact NZ-OD1 2.92Å; K35-D39 IonicContact NZ-OD2 3.49Å; K35-D39 PolarHBondContact NZ-OD2 3.27Å; K35-D39 PolarHBondContact O-N 3.34Å
36T96.1Very high91.5Very high32 Ų3243 Ų4320%0.19623%0.234CC..Hα-helixtrans-65.3-34.9-177.858.80000113.2A32 L33 W40 L55 H132A32-T36 PolarHBondContact O-N 3.43Å; L33-T36 PolarHBondContact O-N 3.44Å; L33-T36 PolarHBondContact O-OG1 2.84Å; T36-W40 WeakPolarHBondContact O-CB 3.22Å; T36-W40 PolarHBondContact O-N 3.16Å; T36-W40 VanDerWaalsContact O-N 3.14Å; T36-L55 HydrophobicContact CG2-CD1 3.67Å; T36-H132 PolarHBondContact O-CE1 3.27Å; T36-H132 PolarHBondContact OG1-ND1 3.23Å
37A98.3Very high92Very high0 Ų044.7 Ų44.70%024%0.237CC..Hα-helixtrans-70.3-37.2175.400000111.1L33 K35 W40 A41 V130 H132L33-A37 VanDerWaalsContact O-CB 3.24Å; L33-A37 WeakPolarHBondContact O-CB 3.47Å; L33-A37 PolarHBondContact O-N 2.88Å; K35-A37 VanDerWaalsContact C-N 3.32Å; K35-A37 PolarHBondContact O-N 3.04Å; A37-W40 PolarHBondContact O-N 3.03Å; A37-A41 WeakPolarHBondContact O-CB 2.91Å; A37-A41 PolarHBondContact O-N 3.01Å; A37-V130 HydrophobicContact CB-CB 4.24Å; A37-V130 HydrophobicContact CB-CG1 4.03Å; A37-H132 HydrophobicContact CB-CB 4.31Å; A37-H132 PolarHBondContact N-ND1 3.31Å
38Q97.6Very high91.8Very high20 Ų2053.2 Ų53.29%0.09328%0.282CS..Hα-helixtrans-65.1-50.5175.2-174.96338.500111.2D34 K35 W40 A41 E42 K120D34-Q38 WeakPolarHBondContact O-CB 3.34Å; D34-Q38 PolarHBondContact O-N 3.25Å; K35-Q38 WeakPolarHBondContact O-CB 3.37Å; K35-Q38 PolarHBondContact O-N 3.49Å; Q38-W40 PolarHBondContact O-N 3.23Å; Q38-A41 PolarHBondContact O-N 2.8Å; Q38-A41 VanDerWaalsContact O-N 3.14Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.28Å; Q38-E42 PolarHBondContact NE2-OE1 2.85Å; Q38-E42 WeakPolarHBondContact O-CG 3.44Å; Q38-E42 PolarHBondContact O-N 3.3Å; Q38-K120 PolarHBondContact NE2-O 3.49Å; Q38-K120 PolarHBondContact OE1-O 2.98Å
39D97.3Very high91.9Very high75 Ų7552.1 Ų52.140%0.40129%0.291SS..Hα-helixtrans-54.3-39.3176.7-64.5-19.1000110.3K35 A43K35-D39 IonicContact NZ-OD1 2.92Å; K35-D39 IonicContact NZ-OD2 3.49Å; K35-D39 PolarHBondContact NZ-OD2 3.27Å; K35-D39 PolarHBondContact O-N 3.34Å; D39-A43 PolarHBondContact O-N 3.27Å; D39-A43 VanDerWaalsContact O-N 3.16Å
40W98Very high92.2Very high30 Ų3054.7 Ų54.711%0.11431%0.306CS..Hα-helixtrans-75.5-39.5178-167.9-124.9000114.3T36 A37 Q38 E42 A43 L44 K51 N52 S53 P54 E63T36-W40 WeakPolarHBondContact O-CB 3.22Å; T36-W40 PolarHBondContact O-N 3.16Å; T36-W40 VanDerWaalsContact O-N 3.14Å; A37-W40 PolarHBondContact O-N 3.03Å; Q38-W40 PolarHBondContact O-N 3.23Å; W40-E42 VanDerWaalsContact C-N 3.25Å; W40-E42 PolarHBondContact O-N 2.82Å; W40-A43 HydrophobicContact CE3-CB 3.82Å; W40-A43 HydrophobicContact CZ3-CB 4Å; W40-A43 PolarHBondContact O-N 3.22Å; W40-L44 HydrophobicContact CD2-CG 4.3Å; W40-L44 HydrophobicContact CG-CD1 4.43Å; W40-L44 HydrophobicContact CZ2-CD2 3.9Å; W40-L44 HydrophobicContact CZ2-CG 4.1Å; W40-L44 WeakPolarHBondContact O-CB 3.3Å; W40-L44 WeakPolarHBondContact O-CG 3.31Å; W40-L44 PolarHBondContact O-N 2.93Å; W40-K51 HydrophobicContact CH2-CG 4.31Å; W40-K51 HydrophobicContact CZ2-CG 3.9Å; W40-K51 WeakPolarHBondContact CZ2-O 3.42Å; W40-K51 PolarHBondContact NE1-O 2.72Å; W40-N52 VanDerWaalsContact CZ2-C 3.45Å; W40-N52 WeakPolarHBondContact CZ2-O 3.3Å; W40-S53 VanDerWaalsContact CZ2-CA 3.45Å; W40-P54 VanDerWaalsContact CZ3-CD 3.49Å; W40-P54 HydrophobicContact CZ3-CG 4.3Å; W40-E63 VanDerWaalsContact CD1-OE2 3.25Å; W40-E63 PolarHBondContact NE1-OE2 2.69Å
41A98Very high92.5Very high0 Ų058.8 Ų58.80%032%0.323CS..Hα-helixtrans-59.1-40175.400000111.3A37 Q38 L45 A121 V128 V130A37-A41 WeakPolarHBondContact O-CB 2.91Å; A37-A41 PolarHBondContact O-N 3.01Å; Q38-A41 PolarHBondContact O-N 2.8Å; Q38-A41 VanDerWaalsContact O-N 3.14Å; A41-L45 PolarHBondContact O-N 2.67Å; A41-A121 HydrophobicContact CB-CB 4.02Å; A41-V128 HydrophobicContact CB-CG1 4.37Å; A41-V130 HydrophobicContact CB-CB 4.39Å; A41-V130 HydrophobicContact CB-CG2 3.87Å
42E96.9Very high93Very high99 Ų9956.3 Ų56.346%0.46331%0.311SS..Hα-helixtrans-66.9-44.3175.8-70.7170.7-169.600112Q38 W40 L44 L45 A121Q38-E42 WeakPolarHBondContact CG-OE1 3.28Å; Q38-E42 PolarHBondContact NE2-OE1 2.85Å; Q38-E42 WeakPolarHBondContact O-CG 3.44Å; Q38-E42 PolarHBondContact O-N 3.3Å; W40-E42 VanDerWaalsContact C-N 3.25Å; W40-E42 PolarHBondContact O-N 2.82Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.35Å; E42-L45 WeakPolarHBondContact O-CB 3.22Å; E42-L45 PolarHBondContact O-N 3.36Å; E42-A121 HydrophobicContact CB-CB 4.38Å; E42-A121 HydrophobicContact CG-CB 3.74Å
43A96.3Very high93.4Very high40 Ų4055.1 Ų55.133%0.33130%0.301SS..Hα-helixtrans-59.8-44.2175.300000111.8D39 W40 L45 S46D39-A43 PolarHBondContact O-N 3.27Å; D39-A43 VanDerWaalsContact O-N 3.16Å; W40-A43 HydrophobicContact CE3-CB 3.82Å; W40-A43 HydrophobicContact CZ3-CB 4Å; W40-A43 PolarHBondContact O-N 3.22Å; A43-L45 PolarHBondContact O-N 3.27Å; A43-S46 PolarHBondContact O-N 3.17Å
44L95.6Very high93.2Very high2 Ų258.4 Ų58.41%0.0132%0.322CS..Hα-helixtrans-66.1-19.5-179.9-80.6177.8000114.4W40 E42 S46 E47 K51 I65 K126 V128 V130W40-L44 HydrophobicContact CD2-CG 4.3Å; W40-L44 HydrophobicContact CG-CD1 4.43Å; W40-L44 HydrophobicContact CZ2-CD2 3.9Å; W40-L44 HydrophobicContact CZ2-CG 4.1Å; W40-L44 WeakPolarHBondContact O-CB 3.3Å; W40-L44 WeakPolarHBondContact O-CG 3.31Å; W40-L44 PolarHBondContact O-N 2.93Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.35Å; L44-S46 PolarHBondContact O-N 2.92Å; L44-E47 HydrophobicContact CD2-CB 4.38Å; L44-E47 HydrophobicContact CD2-CG 4.41Å; L44-E47 PolarHBondContact O-N 3.42Å; L44-K51 HydrophobicContact CD2-CG 4.07Å; L44-I65 HydrophobicContact CD1-CD1 3.99Å; L44-I65 HydrophobicContact CD1-CG2 4.05Å; L44-K126 PolarHBondContact O-NZ 3.1Å; L44-V128 HydrophobicContact CB-CG1 3.92Å; L44-V128 HydrophobicContact CB-CG2 4.3Å; L44-V128 HydrophobicContact CD1-CG1 3.87Å; L44-V130 HydrophobicContact CD1-CG2 4.05Å
45L92.6Very high92.9Very high46 Ų4659.9 Ų59.924%0.24133%0.329CS..Hα-helixtrans-59.1-38.3174-82176.8000111.4A41 E42 A43 E47 A121 K126 V128A41-L45 PolarHBondContact O-N 2.67Å; E42-L45 WeakPolarHBondContact O-CB 3.22Å; E42-L45 PolarHBondContact O-N 3.36Å; A43-L45 PolarHBondContact O-N 3.27Å; L45-E47 VanDerWaalsContact C-N 3.3Å; L45-E47 PolarHBondContact O-N 2.94Å; L45-A121 HydrophobicContact CD1-CB 3.48Å; L45-A121 VanDerWaalsContact CD1-CB 3.48Å; L45-A121 HydrophobicContact CG-CB 3.91Å; L45-K126 HydrophobicContact CD2-CB 4.34Å; L45-K126 HydrophobicContact CD2-CD 4.38Å; L45-K126 HydrophobicContact CD2-CG 4.12Å; L45-K126 WeakPolarHBondContact CD2-O 3.37Å; L45-K126 PolarHBondContact O-NZ 3.26Å; L45-V128 HydrophobicContact CD2-CG2 4.02Å; L45-V128 HydrophobicContact CG-CG2 4.43Å
46S89.6Confident92.7Very high110 Ų11054.3 Ų54.377%0.76931%0.306SS*.THydrogen-bonded Turntrans-85.10.1-176.7-53.70000114A43 L44A43-S46 PolarHBondContact O-N 3.17Å; L44-S46 PolarHBondContact O-N 2.92Å
47E90.4Very high92.2Very high70 Ų7055.1 Ų55.133%0.32731%0.313SS..SBendtrans-100142.4-177.6-64.5-73171.300111.4L44 L45 G49 K51 K126L44-E47 HydrophobicContact CD2-CB 4.38Å; L44-E47 HydrophobicContact CD2-CG 4.41Å; L44-E47 PolarHBondContact O-N 3.42Å; L45-E47 VanDerWaalsContact C-N 3.3Å; L45-E47 PolarHBondContact O-N 2.94Å; E47-G49 PolarHBondContact O-N 3.22Å; E47-K51 WeakPolarHBondContact OE1-CE 3.18Å; E47-K51 IonicContact OE1-NZ 3.67Å; E47-K51 PolarHBondContact OE1-NZ 3.01Å; E47-K51 WeakPolarHBondContact OE2-CE 3.43Å; E47-K51 IonicContact OE2-NZ 2.58Å; E47-K51 PolarHBondContact OE2-NZ 2.86Å; E47-K126 PolarHBondContact O-NZ 3.41Å
48D83.5Confident91.2Very high181 Ų18160 Ų6097%0.96833%0.332SS*.SBendtrans-73.6-11.5-179.9-70.1-34.3000113.5
49G85.4Confident90.2Very high43 Ų4359.1 Ų59.144%0.44333%0.327SS..SBendtrans-147173.1-175.700000114.4E47E47-G49 PolarHBondContact O-N 3.22Å
50I88.8Confident89.3Confident109 Ų10957.9 Ų57.956%0.55932%0.319SS*.  trans-84118.8173.7-58.7176.8000108.1I65 V67I50-I65 HydrophobicContact CG2-CB 4.13Å; I50-I65 HydrophobicContact CG2-CD1 3.93Å; I50-I65 HydrophobicContact CG2-CG2 3.98Å; I50-V67 HydrophobicContact CD1-CB 4.17Å; I50-V67 HydrophobicContact CD1-CG2 3.79Å; I50-V67 HydrophobicContact CG1-CB 4.38Å; I50-V67 HydrophobicContact CG1-CG2 3.66Å
51K91.8Very high88.9Confident91 Ų9156.5 Ų56.540%0.39631%0.314SS..  trans-133.9153.417269.8-172.2-175.3-172.80110W40 L44 E47W40-K51 HydrophobicContact CH2-CG 4.31Å; W40-K51 HydrophobicContact CZ2-CG 3.9Å; W40-K51 WeakPolarHBondContact CZ2-O 3.42Å; W40-K51 PolarHBondContact NE1-O 2.72Å; L44-K51 HydrophobicContact CD2-CG 4.07Å; E47-K51 WeakPolarHBondContact OE1-CE 3.18Å; E47-K51 IonicContact OE1-NZ 3.67Å; E47-K51 PolarHBondContact OE1-NZ 3.01Å; E47-K51 WeakPolarHBondContact OE2-CE 3.43Å; E47-K51 IonicContact OE2-NZ 2.58Å; E47-K51 PolarHBondContact OE2-NZ 2.86Å
52N92.2Very high88.6Confident81 Ų8156.8 Ų56.843%0.43332%0.317SS..  trans-72150.3-178.5-68.26.7000111.5W40 E63W40-N52 VanDerWaalsContact CZ2-C 3.45Å; W40-N52 WeakPolarHBondContact CZ2-O 3.3Å; N52-E63 WeakPolarHBondContact CA-OE1 3.41Å; N52-E63 VanDerWaalsContact CB-OE1 3.29Å; N52-E63 WeakPolarHBondContact CB-OE1 3.24Å
53S93.8Very high88.6Confident2 Ų253 Ų531%0.01430%0.299CS..  trans-61.6157.6173600000112.3W40 L55 S56 S57 E63 H132W40-S53 VanDerWaalsContact CZ2-CA 3.45Å; S53-L55 PolarHBondContact O-N 2.95Å; S53-S56 PolarHBondContact O-N 2.94Å; S53-S56 WeakPolarHBondContact OG-CB 3.49Å; S53-S56 PolarHBondContact OG-N 2.97Å; S53-S57 VanDerWaalsContact O-CB 3.32Å; S53-S57 WeakPolarHBondContact O-CB 3.11Å; S53-S57 PolarHBondContact O-N 3.28Å; S53-S57 PolarHBondContact O-OG 3.04Å; S53-E63 WeakPolarHBondContact CB-OE2 3.31Å; S53-E63 PolarHBondContact N-OE1 2.83Å; S53-E63 VanDerWaalsContact N-OE1 3.17Å; S53-E63 PolarHBondContact N-OE2 2.72Å; S53-E63 PolarHBondContact OG-OE2 3.18Å; S53-H132 PolarHBondContact OG-NE2 3.13Å
54P89.3Confident88.7Confident68 Ų6851.1 Ų51.144%0.44228%0.283SS..Hα-helixtrans-56.7-33.3169.6-26.835.1000112.8W40 R58W40-P54 VanDerWaalsContact CZ3-CD 3.49Å; W40-P54 HydrophobicContact CZ3-CG 4.3Å; P54-R58 VanDerWaalsContact O-CG 3.31Å; P54-R58 WeakPolarHBondContact O-CG 3.35Å; P54-R58 PolarHBondContact O-N 3.37Å; P54-R58 VanDerWaalsContact O-N 3.17Å; P54-R58 PolarHBondContact O-NH1 2.9Å
55L86.6Confident88.8Confident34 Ų3451.6 Ų51.618%0.17829%0.286CS..Hα-helixtrans-67.8-49.1176.5-68.6168.2000111T36 S53 S57 R58 G59 E60 V61T36-L55 HydrophobicContact CG2-CD1 3.67Å; S53-L55 PolarHBondContact O-N 2.95Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 2.81Å; L55-R58 VanDerWaalsContact CD2-NH2 3.29Å; L55-R58 PolarHBondContact O-N 2.82Å; L55-G59 PolarHBondContact O-N 2.84Å; L55-E60 HydrophobicContact CD2-CB 4.38Å; L55-E60 WeakPolarHBondContact CD2-OE2 3.31Å; L55-E60 PolarHBondContact O-N 2.92Å; L55-V61 HydrophobicContact CB-CG1 4.43Å; L55-V61 HydrophobicContact CB-CG2 3.73Å
56S89Confident89Confident8 Ų850.2 Ų50.26%0.05628%0.28CS..Hα-helixtrans-58.9-45.8175.4175.30000110.5S53 R58 G59 E63 Q390S53-S56 PolarHBondContact O-N 2.94Å; S53-S56 WeakPolarHBondContact OG-CB 3.49Å; S53-S56 PolarHBondContact OG-N 2.97Å; S56-R58 PolarHBondContact O-N 3.25Å; S56-G59 WeakPolarHBondContact O-CA 3.29Å; S56-G59 PolarHBondContact O-N 3.39Å; S56-E63 WeakPolarHBondContact CB-OE1 3.41Å; S56-E63 PolarHBondContact OG-OE1 3.35Å; S56-Q390 PolarHBondContact O-NE2 3.49Å
57S84.8Confident89.3Confident48 Ų4847.2 Ų47.234%0.33626%0.257SS..Hα-helixtrans-63.3-22.4179.2-57.70000114.6S53 L55 Q390S53-S57 VanDerWaalsContact O-CB 3.32Å; S53-S57 WeakPolarHBondContact O-CB 3.11Å; S53-S57 PolarHBondContact O-N 3.28Å; S53-S57 PolarHBondContact O-OG 3.04Å; L55-S57 VanDerWaalsContact C-N 3.32Å; L55-S57 PolarHBondContact O-N 2.81Å; S57-Q390 VanDerWaalsContact O-CD 3.31Å; S57-Q390 PolarHBondContact O-OE1 3.33Å; S57-Q390 VanDerWaalsContact O-OE1 3.12Å
58R77.9Confident89.5Confident104 Ų10447.8 Ų47.839%0.39226%0.256SS..THydrogen-bonded Turntrans-93.90.8173-67.6-171.6-50-95.13.3113.3P54 L55 S56 E60P54-R58 VanDerWaalsContact O-CG 3.31Å; P54-R58 WeakPolarHBondContact O-CG 3.35Å; P54-R58 PolarHBondContact O-N 3.37Å; P54-R58 VanDerWaalsContact O-N 3.17Å; P54-R58 PolarHBondContact O-NH1 2.9Å; L55-R58 VanDerWaalsContact CD2-NH2 3.29Å; L55-R58 PolarHBondContact O-N 2.82Å; S56-R58 PolarHBondContact O-N 3.25Å; R58-E60 VanDerWaalsContact C-N 3.28Å; R58-E60 HydrophobicContact CB-CG 4.17Å; R58-E60 IonicContact CZ-OE1 2.65Å; R58-E60 VanDerWaalsContact CZ-OE1 3.26Å; R58-E60 IonicContact NE-OE1 2.8Å; R58-E60 PolarHBondContact NE-OE1 3.38Å; R58-E60 IonicContact NH2-OE1 3.6Å; R58-E60 PolarHBondContact NH2-OE1 3.2Å; R58-E60 IonicContact NH2-OE2 3.83Å; R58-E60 PolarHBondContact O-N 3.27Å
59G75.7Confident89.9Confident0 Ų044.2 Ų44.20%024%0.241CC..THydrogen-bonded Turntrans75.816.6-179.700000113.4L55 S56L55-G59 PolarHBondContact O-N 2.84Å; S56-G59 WeakPolarHBondContact O-CA 3.29Å; S56-G59 PolarHBondContact O-N 3.39Å
60E78.9Confident90.1Very high49 Ų4945.2 Ų45.223%0.22924%0.241CC..SBendtrans-82-23.3-175.8-67.8178.5-142.100113.5L55 R58 M295L55-E60 HydrophobicContact CD2-CB 4.38Å; L55-E60 WeakPolarHBondContact CD2-OE2 3.31Å; L55-E60 PolarHBondContact O-N 2.92Å; R58-E60 VanDerWaalsContact C-N 3.28Å; R58-E60 HydrophobicContact CB-CG 4.17Å; R58-E60 IonicContact CZ-OE1 2.65Å; R58-E60 VanDerWaalsContact CZ-OE1 3.26Å; R58-E60 IonicContact NE-OE1 2.8Å; R58-E60 PolarHBondContact NE-OE1 3.38Å; R58-E60 IonicContact NH2-OE1 3.6Å; R58-E60 PolarHBondContact NH2-OE1 3.2Å; R58-E60 IonicContact NH2-OE2 3.83Å; R58-E60 PolarHBondContact O-N 3.27Å; E60-M295 WeakPolarHBondContact CA-SD 3.06Å; E60-M295 HydrophobicContact CB-SD 4.1Å; E60-M295 HydrophobicContact CG-SD 4.37Å; E60-M295 VanDerWaalsContact O-SD 3.37Å
61V89.1Confident90Very high2 Ų247.6 Ų47.61%0.01226%0.261CS..SBendtrans-141.6149.2177.4-59.30000109.2L33 L55 H132 Y133 R134L33-V61 HydrophobicContact CD2-CG1 3.95Å; L55-V61 HydrophobicContact CB-CG1 4.43Å; L55-V61 HydrophobicContact CB-CG2 3.73Å; V61-H132 HydrophobicContact CB-CB 4.25Å; V61-H132 HydrophobicContact CG1-CB 4.43Å; V61-H132 HydrophobicContact CG2-CB 4.36Å; V61-Y133 CarbonylContact C-O 3.56Å; V61-Y133 WeakPolarHBondContact CA-O 3.1Å; V61-R134 HydrophobicContact CG1-CG 4.3Å
62G92.8Very high89.5Confident5 Ų544.8 Ų44.85%0.05226%0.258CS..EExtended strand (participates in β ladder)trans-76.8157.7158.400000108.6H132 Y133G62-H132 CarbonylContact O-C 3.6Å; G62-H132 WeakPolarHBondContact O-CA 3.04Å; G62-Y133 PolarHBondContact N-O 2.84Å; G62-Y133 PolarHBondContact O-N 2.99Å
63E96.8Very high88.8Confident20 Ų2045.7 Ų45.79%0.09327%0.267CS..EExtended strand (participates in β ladder)trans-144.6137.2-175.4-173.9177.859.300111.2W40 N52 S53 S56 I65 V130 A131 H132W40-E63 VanDerWaalsContact CD1-OE2 3.25Å; W40-E63 PolarHBondContact NE1-OE2 2.69Å; N52-E63 WeakPolarHBondContact CA-OE1 3.41Å; N52-E63 VanDerWaalsContact CB-OE1 3.29Å; N52-E63 WeakPolarHBondContact CB-OE1 3.24Å; S53-E63 WeakPolarHBondContact CB-OE2 3.31Å; S53-E63 PolarHBondContact N-OE1 2.83Å; S53-E63 VanDerWaalsContact N-OE1 3.17Å; S53-E63 PolarHBondContact N-OE2 2.72Å; S53-E63 PolarHBondContact OG-OE2 3.18Å; S56-E63 WeakPolarHBondContact CB-OE1 3.41Å; S56-E63 PolarHBondContact OG-OE1 3.35Å; E63-I65 HydrophobicContact CG-CD1 4.1Å; E63-I65 HydrophobicContact CG-CG1 3.85Å; E63-V130 HydrophobicContact CG-CG1 4.2Å; E63-A131 VanDerWaalsContact CA-O 3.29Å; E63-A131 WeakPolarHBondContact CA-O 3.48Å; E63-H132 IonicContact OE2-CD2 3.73Å; E63-H132 IonicContact OE2-NE2 2.77Å; E63-H132 PolarHBondContact OE2-NE2 3.3Å
64S98.2Very high88.3Confident0 Ų054.1 Ų54.10%031%0.305CS..EExtended strand (participates in β ladder)trans-126.3135165.9-61.80000108.7W86 N104 V130 A131 Y133S64-W86 WeakPolarHBondContact O-CZ2 3.48Å; S64-N104 WeakPolarHBondContact CA-OD1 3.28Å; S64-N104 WeakPolarHBondContact CB-OD1 3.3Å; S64-V130 CarbonylContact O-C 3.55Å; S64-V130 WeakPolarHBondContact O-CA 3.32Å; S64-A131 PolarHBondContact N-O 2.97Å; S64-A131 PolarHBondContact O-N 3.17Å; S64-Y133 WeakPolarHBondContact OG-CE2 3.14Å
65I97.5Very high88.3Confident12 Ų1251.5 Ų51.56%0.06229%0.288CS..EExtended strand (participates in β ladder)trans-125.2139.2-177.3-56.5170.2000108.9L44 I50 E63 V67 W86 N104 V128 V129 V130L44-I65 HydrophobicContact CD1-CD1 3.99Å; L44-I65 HydrophobicContact CD1-CG2 4.05Å; I50-I65 HydrophobicContact CG2-CB 4.13Å; I50-I65 HydrophobicContact CG2-CD1 3.93Å; I50-I65 HydrophobicContact CG2-CG2 3.98Å; E63-I65 HydrophobicContact CG-CD1 4.1Å; E63-I65 HydrophobicContact CG-CG1 3.85Å; I65-V67 HydrophobicContact CG2-CG2 4.07Å; I65-W86 PolarHBondContact O-NE1 3.43Å; I65-W86 VanDerWaalsContact O-NE1 3.16Å; I65-N104 PolarHBondContact N-OD1 3.44Å; I65-N104 PolarHBondContact O-ND2 3.32Å; I65-V128 HydrophobicContact CG2-CG1 4.35Å; I65-V129 CarbonylContact C-O 3.55Å; I65-V129 WeakPolarHBondContact CA-O 3.39Å; I65-V130 HydrophobicContact CG1-CG2 4.35Å
66S97.1Very high88.5Confident18 Ų1852 Ų5213%0.12629%0.291CS..EExtended strand (participates in β ladder)trans-128.8135.6166.9-171.70000109.5V128 V129S66-V128 WeakPolarHBondContact O-CA 3.49Å; S66-V129 PolarHBondContact N-O 2.82Å; S66-V129 PolarHBondContact O-N 2.87Å
67V95.8Very high88.8Confident47 Ų4751.7 Ų51.729%0.28529%0.289SS..EExtended strand (participates in β ladder)trans-127.8130.4176.2-178.10000108.6I50 I65 T69 K126 C127 V128I50-V67 HydrophobicContact CD1-CB 4.17Å; I50-V67 HydrophobicContact CD1-CG2 3.79Å; I50-V67 HydrophobicContact CG1-CB 4.38Å; I50-V67 HydrophobicContact CG1-CG2 3.66Å; I65-V67 HydrophobicContact CG2-CG2 4.07Å; V67-T69 HydrophobicContact CG1-CG2 4.32Å; V67-K126 HydrophobicContact CG1-CG 4.18Å; V67-C127 WeakPolarHBondContact CA-O 3.5Å; V67-V128 HydrophobicContact CG1-CG2 4.32Å; V67-V128 HydrophobicContact CG2-CG1 4.22Å; V67-V128 HydrophobicContact CG2-CG2 4.08Å
68R94.6Very high89.2Confident81 Ų8153.9 Ų53.931%0.30629%0.294SS..EExtended strand (participates in β ladder)trans-117.8126.4171.1-179.9176.9-68.7175.7-7.3108.8V75 D76 M77 E81 K126 C127R68-V75 HydrophobicContact CB-CG1 4.03Å; R68-V75 HydrophobicContact CG-CG1 3.61Å; R68-D76 PolarHBondContact NH1-O 3.07Å; R68-M77 HydrophobicContact CB-CE 4.17Å; R68-M77 HydrophobicContact CB-CG 3.95Å; R68-M77 HydrophobicContact CB-SD 3.61Å; R68-E81 IonicContact CZ-OE1 3.95Å; R68-E81 IonicContact CZ-OE2 3.62Å; R68-E81 IonicContact NH1-OE1 3.39Å; R68-E81 PolarHBondContact NH1-OE1 3.31Å; R68-E81 IonicContact NH1-OE2 2.94Å; R68-E81 PolarHBondContact NH1-OE2 3.03Å; R68-E81 IonicContact NH2-OE1 3.7Å; R68-E81 PolarHBondContact NH2-OE1 3.4Å; R68-E81 IonicContact NH2-OE2 3.41Å; R68-E81 PolarHBondContact NH2-OE2 3.25Å; R68-K126 CarbonylContact O-C 3.49Å; R68-K126 WeakPolarHBondContact O-CA 3.4Å; R68-C127 PolarHBondContact N-O 2.9Å; R68-C127 PolarHBondContact O-N 3.03Å
69T92.2Very high90.1Very high107 Ų10749 Ų4966%0.65628%0.275SS*.EExtended strand (participates in β ladder)trans-111.9151.917154.20000110.3V67 G125 K126V67-T69 HydrophobicContact CG1-CG2 4.32Å; T69-G125 CarbonylContact C-O 3.49Å; T69-G125 WeakPolarHBondContact CA-O 3.46Å; T69-K126 HydrophobicContact CG2-CB 4.37Å; T69-K126 HydrophobicContact CG2-CG 4.08Å
70S89.3Confident91.1Very high63 Ų6352.9 Ų52.944%0.44129%0.293SS..  trans-149.1155.3174.3-171.30000109.8G72 G125S70-G72 PolarHBondContact OG-N 3.08Å; S70-G125 PolarHBondContact N-O 2.93Å; S70-G125 WeakPolarHBondContact O-CA 3.47Å
71T85.9Confident92Very high159 Ų15953.7 Ų53.798%0.97530%0.297SS*.SBendtrans-71.7-20.917055.80000112.2
72G81.9Confident92.5Very high32 Ų3253.7 Ų53.733%0.3330%0.297SS..SBendtrans-76.5153.417500000112.7S70 H74 G125S70-G72 PolarHBondContact OG-N 3.08Å; G72-H74 VanDerWaalsContact C-N 3.33Å; G72-H74 PolarHBondContact O-N 3.37Å; G72-G125 VanDerWaalsContact O-CA 3.26Å; G72-G125 WeakPolarHBondContact O-CA 3.45Å
73T77.8Confident92.7Very high100 Ų10053.4 Ų53.461%0.61329%0.294SS*.SBendtrans-70.5-27.7-179.451.10000113.5G125T73-G125 PolarHBondContact O-N 3.36Å
74H83Confident92.8Very high179 Ų17955.7 Ų55.783%0.82931%0.307SS*.  trans-104.4106.8-177.5-62.783.2000110.1G72G72-H74 VanDerWaalsContact C-N 3.33Å; G72-H74 PolarHBondContact O-N 3.37Å
75V89.3Confident92.8Very high13 Ų1358.9 Ų58.98%0.07933%0.327CS..  trans-120.1130.8173.7-177.40000108.6R68 C122 C127R68-V75 HydrophobicContact CB-CG1 4.03Å; R68-V75 HydrophobicContact CG-CG1 3.61Å; V75-C122 WeakPolarHBondContact O-CB 3.15Å; V75-C122 PolarHBondContact O-SG 3.19Å; V75-C127 HydrophobicContact CB-CB 4.43Å; V75-C127 HydrophobicContact CG1-CB 3.95Å
76D91.6Very high92.8Very high44 Ų4458.4 Ų58.424%0.23532%0.324CS..  trans-142.4161.9177.1-158.914000111R3 R68 K120 C122R3-D76 IonicContact CZ-OD2 2.94Å; R3-D76 IonicContact NE-OD2 2.66Å; R3-D76 IonicContact NH2-OD2 2.69Å; R3-D76 PolarHBondContact NH2-OD2 2.81Å; R68-D76 PolarHBondContact NH1-O 3.07Å; D76-K120 WeakPolarHBondContact OD1-CE 3.24Å; D76-K120 IonicContact OD1-NZ 3.6Å; D76-K120 PolarHBondContact OD1-NZ 2.6Å; D76-K120 IonicContact OD2-NZ 3.44Å; D76-C122 PolarHBondContact OD1-SG 3.29Å
77M94.3Very high92.9Very high2 Ų259 Ų591%0.0133%0.325CS..  trans-137.7132.8176.8-66.9-171.5-79.600110.4F7 R68 V82 K120 C127 V129F7-M77 WeakPolarHBondContact CE2-O 3.16Å; R68-M77 HydrophobicContact CB-CE 4.17Å; R68-M77 HydrophobicContact CB-CG 3.95Å; R68-M77 HydrophobicContact CB-SD 3.61Å; M77-V82 HydrophobicContact CB-CG2 3.76Å; M77-V82 HydrophobicContact CG-CG2 4.38Å; M77-V82 HydrophobicContact SD-CG2 3.88Å; M77-K120 PolarHBondContact O-NZ 3.47Å; M77-C127 HydrophobicContact CE-CB 3.96Å; M77-C127 VanDerWaalsContact CE-O 3.27Å; M77-C127 WeakPolarHBondContact CE-O 3.34Å; M77-V129 HydrophobicContact CE-CB 4.16Å; M77-V129 HydrophobicContact CE-CG2 3.66Å
78Q94.5Very high92.9Very high95 Ų9559.6 Ų59.644%0.44433%0.331SS..  trans-81.4152.3172.3-59.2-58.8-26.900110.6E81 V82Q78-E81 HydrophobicContact CB-CB 4.12Å; Q78-E81 PolarHBondContact N-OE2 3.4Å; Q78-E81 WeakPolarHBondContact O-CB 3.18Å; Q78-E81 PolarHBondContact O-N 3.03Å; Q78-V82 PolarHBondContact O-N 3.28Å; Q78-V82 VanDerWaalsContact O-N 3.13Å
79G96.5Very high92.8Very high0 Ų057.7 Ų57.70%033%0.327CS..Hα-helixtrans-63.8-49.9-173.400000112.5F7 D10 C11 E81 V82 V83F7-G79 VanDerWaalsContact CE2-CA 3.44Å; D10-G79 VanDerWaalsContact OD2-CA 3.3Å; D10-G79 WeakPolarHBondContact OD2-CA 3.31Å; D10-G79 PolarHBondContact OD2-N 3.09Å; C11-G79 WeakPolarHBondContact SG-CA 3.21Å; G79-E81 PolarHBondContact O-N 2.85Å; G79-V82 PolarHBondContact O-N 3.12Å; G79-V83 WeakPolarHBondContact O-CG2 3.42Å; G79-V83 PolarHBondContact O-N 3.46Å
80H96.7Very high92.9Very high82 Ų8253.4 Ų53.438%0.3830%0.302SS..Hα-helixtrans-61.6-32.617665-87.7000112.7D10 A14 V83 N84D10-H80 IonicContact OD1-ND1 2.69Å; D10-H80 IonicContact OD2-CE1 2.66Å; D10-H80 IonicContact OD2-CG 3.98Å; D10-H80 PolarHBondContact OD2-N 2.93Å; D10-H80 IonicContact OD2-ND1 3.69Å; D10-H80 PolarHBondContact OD2-ND1 2.97Å; A14-H80 HydrophobicContact CB-CB 3.89Å; H80-V83 PolarHBondContact O-N 3.09Å; H80-N84 WeakPolarHBondContact O-CB 3.46Å; H80-N84 PolarHBondContact O-N 2.65Å; H80-N84 PolarHBondContact O-ND2 3.36Å
81E97.5Very high93.1Very high67 Ų6757.9 Ų57.931%0.31332%0.316SS..Hα-helixtrans-64.3-46176.7-174.5-174.1-167.100111R68 Q78 G79 N84 T85R68-E81 IonicContact CZ-OE1 3.95Å; R68-E81 IonicContact CZ-OE2 3.62Å; R68-E81 IonicContact NH1-OE1 3.39Å; R68-E81 PolarHBondContact NH1-OE1 3.31Å; R68-E81 IonicContact NH1-OE2 2.94Å; R68-E81 PolarHBondContact NH1-OE2 3.03Å; R68-E81 IonicContact NH2-OE1 3.7Å; R68-E81 PolarHBondContact NH2-OE1 3.4Å; R68-E81 IonicContact NH2-OE2 3.41Å; R68-E81 PolarHBondContact NH2-OE2 3.25Å; Q78-E81 HydrophobicContact CB-CB 4.12Å; Q78-E81 PolarHBondContact N-OE2 3.4Å; Q78-E81 WeakPolarHBondContact O-CB 3.18Å; Q78-E81 PolarHBondContact O-N 3.03Å; G79-E81 PolarHBondContact O-N 2.85Å; E81-N84 PolarHBondContact O-N 2.98Å; E81-T85 PolarHBondContact O-N 2.93Å; E81-T85 PolarHBondContact O-OG1 2.96Å
82V98.5Very high93.5Very high1 Ų153.8 Ų53.81%0.00629%0.288CS..Hα-helixtrans-62.9-47.2175.9175.80000111M77 Q78 G79 N84 T85 W86 V129M77-V82 HydrophobicContact CB-CG2 3.76Å; M77-V82 HydrophobicContact CG-CG2 4.38Å; M77-V82 HydrophobicContact SD-CG2 3.88Å; Q78-V82 PolarHBondContact O-N 3.28Å; Q78-V82 VanDerWaalsContact O-N 3.13Å; G79-V82 PolarHBondContact O-N 3.12Å; V82-N84 VanDerWaalsContact C-N 3.34Å; V82-N84 PolarHBondContact O-N 3.33Å; V82-T85 WeakPolarHBondContact O-CB 3.47Å; V82-T85 PolarHBondContact O-N 3.37Å; V82-W86 HydrophobicContact CG1-CD2 3.87Å; V82-W86 HydrophobicContact CG1-CE3 4.09Å; V82-W86 HydrophobicContact CG1-CH2 3.8Å; V82-W86 HydrophobicContact CG1-CZ2 3.57Å; V82-W86 HydrophobicContact CG1-CZ3 4.05Å; V82-W86 PolarHBondContact O-N 3.24Å; V82-V129 HydrophobicContact CG1-CB 4.27Å; V82-V129 HydrophobicContact CG1-CG1 3.86Å; V82-V129 HydrophobicContact CG2-CB 4.29Å; V82-V129 HydrophobicContact CG2-CG1 4.39Å; V82-V129 HydrophobicContact CG2-CG2 4.15Å
83V98.6Very high94.2Very high0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-63.9-39.5179.6173.60000111.8C11 A14 H15 K18 G79 H80 T85 W86 H87 L108C11-V83 HydrophobicContact CB-CG2 4.36Å; A14-V83 HydrophobicContact CB-CB 3.94Å; A14-V83 HydrophobicContact CB-CG1 3.89Å; A14-V83 HydrophobicContact CB-CG2 4.25Å; H15-V83 HydrophobicContact CB-CG1 4.35Å; H15-V83 HydrophobicContact CB-CG2 4.47Å; K18-V83 HydrophobicContact CG-CG1 4.09Å; G79-V83 WeakPolarHBondContact O-CG2 3.42Å; G79-V83 PolarHBondContact O-N 3.46Å; H80-V83 PolarHBondContact O-N 3.09Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 3.49Å; V83-W86 HydrophobicContact CG2-CE3 4.49Å; V83-W86 PolarHBondContact O-N 3.4Å; V83-H87 VanDerWaalsContact O-CB 3.3Å; V83-H87 WeakPolarHBondContact O-CB 3.39Å; V83-H87 PolarHBondContact O-N 2.91Å; V83-L108 HydrophobicContact CG1-CD1 3.95Å
84N97.9Very high94.9Very high68 Ų6851.4 Ų51.436%0.36426%0.263SS..Hα-helixtrans-63.1-39.5175-76.3-32.1000111.5K18 H80 E81 V82 H87 S88K18-N84 WeakPolarHBondContact CE-OD1 3.3Å; K18-N84 PolarHBondContact NZ-OD1 2.96Å; H80-N84 WeakPolarHBondContact O-CB 3.46Å; H80-N84 PolarHBondContact O-N 2.65Å; H80-N84 PolarHBondContact O-ND2 3.36Å; E81-N84 PolarHBondContact O-N 2.98Å; V82-N84 VanDerWaalsContact C-N 3.34Å; V82-N84 PolarHBondContact O-N 3.33Å; N84-H87 PolarHBondContact O-N 2.86Å; N84-S88 PolarHBondContact O-N 3.37Å
85T97.7Very high95.2Very high66 Ų6644 Ų4441%0.40523%0.228SC..Hα-helixtrans-64.5-47175.3-52.60000111.2E81 V82 V83 H87 S88E81-T85 PolarHBondContact O-N 2.93Å; E81-T85 PolarHBondContact O-OG1 2.96Å; V82-T85 WeakPolarHBondContact O-CB 3.47Å; V82-T85 PolarHBondContact O-N 3.37Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 3.49Å; T85-H87 PolarHBondContact O-N 3.49Å; T85-S88 PolarHBondContact O-N 3.2Å; T85-S88 PolarHBondContact O-OG 2.85Å
86W98.4Very high95.2Very high3 Ų349.3 Ų49.31%0.01125%0.252CS..Hα-helixtrans-62.1-33.4174.4-70.5-20.4000112.6S64 I65 V82 V83 N104 F105 L108 F118 V129 A131S64-W86 WeakPolarHBondContact O-CZ2 3.48Å; I65-W86 PolarHBondContact O-NE1 3.43Å; I65-W86 VanDerWaalsContact O-NE1 3.16Å; V82-W86 HydrophobicContact CG1-CD2 3.87Å; V82-W86 HydrophobicContact CG1-CE3 4.09Å; V82-W86 HydrophobicContact CG1-CH2 3.8Å; V82-W86 HydrophobicContact CG1-CZ2 3.57Å; V82-W86 HydrophobicContact CG1-CZ3 4.05Å; V82-W86 PolarHBondContact O-N 3.24Å; V83-W86 HydrophobicContact CG2-CE3 4.49Å; V83-W86 PolarHBondContact O-N 3.4Å; W86-N104 HydrophobicContact CB-CB 3.9Å; W86-N104 VanDerWaalsContact CD1-CB 3.48Å; W86-N104 VanDerWaalsContact CD1-CG 3.43Å; W86-N104 HydrophobicContact CG-CB 3.72Å; W86-N104 PolarHBondContact NE1-ND2 3.08Å; W86-F105 WeakPolarHBondContact O-CA 3.19Å; W86-F105 WeakPolarHBondContact O-CB 3.09Å; W86-F105 PolarHBondContact O-N 2.91Å; W86-L108 HydrophobicContact CB-CD1 3.79Å; W86-F118 HydrophobicContact CZ3-CE1 4.41Å; W86-V129 HydrophobicContact CH2-CG1 4.03Å; W86-V129 HydrophobicContact CZ2-CG1 4.32Å; W86-A131 HydrophobicContact CH2-CB 3.54Å; W86-A131 HydrophobicContact CZ3-CB 3.65Å
87H98.2Very high95.1Very high31 Ų3151.1 Ų51.114%0.14426%0.262CS..Hα-helixtrans-75.2-32.4178.3-175.1-104.6000112.9K18 H22 V83 N84 T85 D89 A90 F105 L108K18-H87 HydrophobicContact CD-CB 4.2Å; K18-H87 HydrophobicContact CG-CB 4.02Å; H22-H87 AromaticContact CD2-NE2 3.69Å; H22-H87 AromaticContact NE2-CD2 3.85Å; H22-H87 AromaticContact NE2-CE1 3.91Å; H22-H87 AromaticContact NE2-NE2 2.93Å; H22-H87 PolarHBondContact NE2-NE2 3.47Å; V83-H87 VanDerWaalsContact O-CB 3.3Å; V83-H87 WeakPolarHBondContact O-CB 3.39Å; V83-H87 PolarHBondContact O-N 2.91Å; N84-H87 PolarHBondContact O-N 2.86Å; T85-H87 PolarHBondContact O-N 3.49Å; H87-D89 PolarHBondContact O-N 2.98Å; H87-A90 WeakPolarHBondContact O-CB 3.38Å; H87-A90 PolarHBondContact O-N 2.92Å; H87-F105 AromaticContact CD2-CD2 3.99Å; H87-L108 HydrophobicContact CB-CD1 4.25Å
88S96.6Very high94.7Very high58 Ų5851.4 Ų51.441%0.40627%0.266SS..Hα-helixtrans-63.4-24.8179.655.40000113.2N84 T85 A90 E91N84-S88 PolarHBondContact O-N 3.37Å; T85-S88 PolarHBondContact O-N 3.2Å; T85-S88 PolarHBondContact O-OG 2.85Å; S88-A90 PolarHBondContact O-N 3.05Å; S88-E91 WeakPolarHBondContact O-CG 3.46Å; S88-E91 PolarHBondContact O-N 2.68Å; S88-E91 VanDerWaalsContact O-N 3.09Å
89D93.6Very high94.5Very high41 Ų4152.5 Ų52.522%0.21927%0.269CS..G310 helixtrans-57.4-12.2171.7-71.1-14.4000113.4H87 E91 N92 A102 F105H87-D89 PolarHBondContact O-N 2.98Å; D89-E91 PolarHBondContact O-N 2.71Å; D89-N92 WeakPolarHBondContact O-CB 3.22Å; D89-N92 PolarHBondContact O-N 2.78Å; D89-A102 HydrophobicContact CB-CB 4.22Å; D89-A102 VanDerWaalsContact O-CB 3.31Å; D89-A102 WeakPolarHBondContact O-CB 3.21Å; D89-F105 HydrophobicContact CB-CB 3.73Å
90A93.9Very high94Very high17 Ų1754.6 Ų54.614%0.1429%0.291CS..G310 helixtrans-51.8-31.1169.400000113.5H87 S88 N92 Y93 F105H87-A90 WeakPolarHBondContact O-CB 3.38Å; H87-A90 PolarHBondContact O-N 2.92Å; S88-A90 PolarHBondContact O-N 3.05Å; A90-N92 PolarHBondContact O-N 2.94Å; A90-Y93 PolarHBondContact O-N 2.84Å; A90-F105 HydrophobicContact CB-CD1 4.17Å; A90-F105 HydrophobicContact CB-CD2 3.62Å; A90-F105 HydrophobicContact CB-CE1 4.08Å; A90-F105 HydrophobicContact CB-CE2 3.52Å; A90-F105 HydrophobicContact CB-CG 3.96Å; A90-F105 HydrophobicContact CB-CZ 3.78Å
91E93.3Very high93.6Very high157 Ų15756 Ų5673%0.73431%0.307SS*.G310 helixtrans-63.5-26.717773.6-171.7-179.900112.7S88 D89S88-E91 WeakPolarHBondContact O-CG 3.46Å; S88-E91 PolarHBondContact O-N 2.68Å; S88-E91 VanDerWaalsContact O-N 3.09Å; D89-E91 PolarHBondContact O-N 2.71Å
92N94.8Very high93.4Very high74 Ų7452.8 Ų52.840%0.39629%0.292SS..G310 helixtrans-91.40.7-179.6-63.2-50.9000112.7D89 A90 G100 P101D89-N92 WeakPolarHBondContact O-CB 3.22Å; D89-N92 PolarHBondContact O-N 2.78Å; A90-N92 PolarHBondContact O-N 2.94Å; N92-G100 VanDerWaalsContact O-CA 3.24Å; N92-G100 WeakPolarHBondContact O-CA 3.18Å; N92-P101 HydrophobicContact CB-CG 4.12Å
93Y95.3Very high93.1Very high11 Ų1154.4 Ų54.44%0.04331%0.309CS..  trans-102.3125.6-178.6-178.2-101.4000112.8A90 Y95 G98 A102 F105 T106 Y143 V147A90-Y93 PolarHBondContact O-N 2.84Å; Y93-Y95 AromaticContact CD1-CD1 3.62Å; Y93-Y95 HydrophobicContact CD1-CD1 3.62Å; Y93-Y95 AromaticContact CD1-CD2 3.97Å; Y93-Y95 HydrophobicContact CD1-CD2 3.97Å; Y93-Y95 AromaticContact CD1-CE1 3.65Å; Y93-Y95 HydrophobicContact CD1-CE1 3.65Å; Y93-Y95 HydrophobicContact CD1-CE2 4.04Å; Y93-Y95 AromaticContact CD1-CG 3.77Å; Y93-Y95 HydrophobicContact CD1-CG 3.77Å; Y93-Y95 AromaticContact CD1-CZ 3.87Å; Y93-Y95 AromaticContact CE1-CD1 3.46Å; Y93-Y95 HydrophobicContact CE1-CD1 3.46Å; Y93-Y95 VanDerWaalsContact CE1-CD1 3.46Å; Y93-Y95 HydrophobicContact CE1-CD2 4.46Å; Y93-Y95 AromaticContact CE1-CE1 3.84Å; Y93-Y95 HydrophobicContact CE1-CE1 3.84Å; Y93-Y95 AromaticContact CE1-CG 3.8Å; Y93-Y95 HydrophobicContact CE1-CG 3.8Å; Y93-Y95 PolarHBondContact O-N 3.12Å; Y93-G98 VanDerWaalsContact OH-CA 3.29Å; Y93-G98 WeakPolarHBondContact OH-CA 3.25Å; Y93-A102 HydrophobicContact CD2-CB 4.4Å; Y93-F105 AromaticContact CD1-CE1 3.93Å; Y93-F105 HydrophobicContact CD1-CE1 3.93Å; Y93-F105 HydrophobicContact CG-CD1 4.28Å; Y93-F105 AromaticContact CG-CE1 3.93Å; Y93-F105 HydrophobicContact CG-CE1 3.93Å; Y93-T106 HydrophobicContact CD2-CG2 3.54Å; Y93-T106 HydrophobicContact CE2-CG2 3.64Å; Y93-T106 HydrophobicContact CG-CG2 4.23Å; Y93-Y143 AromaticContact CE2-CD1 3.92Å; Y93-Y143 HydrophobicContact CE2-CD1 3.92Å; Y93-Y143 WeakPolarHBondContact OH-CB 3.36Å; Y93-V147 HydrophobicContact CD1-CG1 3.88Å; Y93-V147 HydrophobicContact CE1-CB 3.97Å; Y93-V147 HydrophobicContact CE1-CG1 3.33Å; Y93-V147 HydrophobicContact CE2-CG1 4.37Å; Y93-V147 WeakPolarHBondContact OH-CB 3.37Å
94N93.2Very high93Very high70 Ų7056.3 Ų56.337%0.37432%0.319SS..BIsolated β-bridgetrans-91.5103174.5-175.7-27.3000111E96 N97 G98 K99N94-E96 PolarHBondContact O-N 3.38Å; N94-E96 WeakPolarHBondContact OD1-CB 3.18Å; N94-E96 PolarHBondContact OD1-N 3.14Å; N94-N97 VanDerWaalsContact CB-OD1 3.3Å; N94-N97 WeakPolarHBondContact CB-OD1 3.29Å; N94-N97 VanDerWaalsContact CG-OD1 3.3Å; N94-N97 PolarHBondContact ND2-ND2 3.17Å; N94-N97 PolarHBondContact O-N 2.77Å; N94-N97 PolarHBondContact O-OD1 3.18Å; N94-N97 PolarHBondContact OD1-N 3.02Å; N94-G98 WeakPolarHBondContact O-CA 3.35Å; N94-G98 PolarHBondContact O-N 3.17Å; N94-K99 PolarHBondContact N-O 3.31Å
95Y89.7Confident93Very high24 Ų2453 Ų539%0.09430%0.302CS..THydrogen-bonded Turntrans-66.2-12.7179.9-61.3-90.1000115.6Y93 F105 L144 V147 F148 R149Y93-Y95 AromaticContact CD1-CD1 3.62Å; Y93-Y95 HydrophobicContact CD1-CD1 3.62Å; Y93-Y95 AromaticContact CD1-CD2 3.97Å; Y93-Y95 HydrophobicContact CD1-CD2 3.97Å; Y93-Y95 AromaticContact CD1-CE1 3.65Å; Y93-Y95 HydrophobicContact CD1-CE1 3.65Å; Y93-Y95 HydrophobicContact CD1-CE2 4.04Å; Y93-Y95 AromaticContact CD1-CG 3.77Å; Y93-Y95 HydrophobicContact CD1-CG 3.77Å; Y93-Y95 AromaticContact CD1-CZ 3.87Å; Y93-Y95 AromaticContact CE1-CD1 3.46Å; Y93-Y95 HydrophobicContact CE1-CD1 3.46Å; Y93-Y95 VanDerWaalsContact CE1-CD1 3.46Å; Y93-Y95 HydrophobicContact CE1-CD2 4.46Å; Y93-Y95 AromaticContact CE1-CE1 3.84Å; Y93-Y95 HydrophobicContact CE1-CE1 3.84Å; Y93-Y95 AromaticContact CE1-CG 3.8Å; Y93-Y95 HydrophobicContact CE1-CG 3.8Å; Y93-Y95 PolarHBondContact O-N 3.12Å; Y95-F105 HydrophobicContact CE1-CE1 4.4Å; Y95-F105 HydrophobicContact CE1-CZ 4.19Å; Y95-F105 VanDerWaalsContact OH-CZ 3.28Å; Y95-F105 WeakPolarHBondContact OH-CZ 3.25Å; Y95-L144 VanDerWaalsContact O-CD2 3.23Å; Y95-L144 WeakPolarHBondContact O-CD2 3.37Å; Y95-V147 HydrophobicContact CD1-CG1 4.44Å; Y95-V147 HydrophobicContact CE1-CG1 4.1Å; Y95-F148 VanDerWaalsContact CE1-O 3.29Å; Y95-F148 WeakPolarHBondContact CE1-O 3.38Å; Y95-R149 VanDerWaalsContact CB-CZ 3.49Å; Y95-R149 HydrophobicContact CD1-CB 4.38Å; Y95-R149 HydrophobicContact CD1-CG 3.6Å; Y95-R149 HydrophobicContact CD2-CG 4Å; Y95-R149 HydrophobicContact CE1-CG 4.2Å; Y95-R149 HydrophobicContact CG-CG 3.51Å
96E89Confident93Very high124 Ų12450 Ų5058%0.57928%0.283SS*.THydrogen-bonded Turntrans-82.9-36.8178.6-59.7-54.6136.400111.6N94 R149N94-E96 PolarHBondContact O-N 3.38Å; N94-E96 WeakPolarHBondContact OD1-CB 3.18Å; N94-E96 PolarHBondContact OD1-N 3.14Å; E96-R149 IonicContact OE1-CZ 2.73Å; E96-R149 IonicContact OE1-NE 3.61Å; E96-R149 PolarHBondContact OE1-NE 2.88Å; E96-R149 IonicContact OE1-NH2 3.51Å; E96-R149 PolarHBondContact OE1-NH2 3.48Å
97N88.5Confident92.9Very high82 Ų8250 Ų5044%0.43928%0.283SS..THydrogen-bonded Turntrans-117.8-4.9-177.266.817.5000114.3N94 K99N94-N97 VanDerWaalsContact CB-OD1 3.3Å; N94-N97 WeakPolarHBondContact CB-OD1 3.29Å; N94-N97 VanDerWaalsContact CG-OD1 3.3Å; N94-N97 PolarHBondContact ND2-ND2 3.17Å; N94-N97 PolarHBondContact O-N 2.77Å; N94-N97 PolarHBondContact O-OD1 3.18Å; N94-N97 PolarHBondContact OD1-N 3.02Å; N97-K99 VanDerWaalsContact C-N 3.34Å; N97-K99 PolarHBondContact O-N 3.28Å; N97-K99 WeakPolarHBondContact OD1-CB 3.21Å; N97-K99 PolarHBondContact OD1-N 3.22Å
98G86.8Confident92.9Very high9 Ų948.5 Ų48.59%0.09328%0.276CS..THydrogen-bonded Turntrans7320.2177.100000115.3Y93 N94Y93-G98 VanDerWaalsContact OH-CA 3.29Å; Y93-G98 WeakPolarHBondContact OH-CA 3.25Å; N94-G98 WeakPolarHBondContact O-CA 3.35Å; N94-G98 PolarHBondContact O-N 3.17Å
99K89.9Confident92.9Very high118 Ų11845.8 Ų45.851%0.51326%0.257SS..BIsolated β-bridgetrans-105.5160.2-178.6-61-172.7173.4-167.20112.2N94 N97N94-K99 PolarHBondContact N-O 3.31Å; N97-K99 VanDerWaalsContact C-N 3.34Å; N97-K99 PolarHBondContact O-N 3.28Å; N97-K99 WeakPolarHBondContact OD1-CB 3.21Å; N97-K99 PolarHBondContact OD1-N 3.22Å
100G86.5Confident92.9Very high44 Ų4443.9 Ų43.945%0.45425%0.247SC..SBendtrans137.5153.9173.800000112.8N92 A102N92-G100 VanDerWaalsContact O-CA 3.24Å; N92-G100 WeakPolarHBondContact O-CA 3.18Å; G100-A102 PolarHBondContact O-N 3.46Å
101P89Confident92.6Very high110 Ų11043.6 Ų43.671%0.71424%0.244SC*.SBendtrans-78.462.9179.934.8-36.8000111.2N92N92-P101 HydrophobicContact CB-CG 4.12Å
102A92.6Very high92Very high0 Ų036.6 Ų36.60%021%0.212CC..  trans-123.634.4-171.200000112.5D89 Y93 G100 N104 F105 T106D89-A102 HydrophobicContact CB-CB 4.22Å; D89-A102 VanDerWaalsContact O-CB 3.31Å; D89-A102 WeakPolarHBondContact O-CB 3.21Å; Y93-A102 HydrophobicContact CD2-CB 4.4Å; G100-A102 PolarHBondContact O-N 3.46Å; A102-N104 VanDerWaalsContact C-N 3.35Å; A102-N104 PolarHBondContact O-N 3.23Å; A102-F105 HydrophobicContact CB-CB 4.23Å; A102-F105 HydrophobicContact CB-CD1 4.03Å; A102-F105 WeakPolarHBondContact O-CB 3.4Å; A102-F105 PolarHBondContact O-N 2.97Å; A102-F105 VanDerWaalsContact O-N 3.09Å; A102-T106 HydrophobicContact CB-CG2 4.28Å; A102-T106 WeakPolarHBondContact O-CG2 3.33Å; A102-T106 PolarHBondContact O-N 3.05Å; A102-T106 PolarHBondContact O-OG1 2.87Å; A102-T106 VanDerWaalsContact O-OG1 3.07Å
103G92.3Very high91.8Very high35 Ų3533.1 Ų33.136%0.36119%0.194SC..Hα-helixtrans-57.4-41-168.600000114.6T106 Q107 N138G103-T106 WeakPolarHBondContact CA-OG1 3.47Å; G103-T106 PolarHBondContact O-OG1 3.39Å; G103-Q107 VanDerWaalsContact O-CB 3.3Å; G103-Q107 WeakPolarHBondContact O-CB 3.29Å; G103-Q107 PolarHBondContact O-N 2.89Å; G103-Q107 VanDerWaalsContact O-N 3.09Å; G103-N138 PolarHBondContact O-ND2 2.99Å
104N96.4Very high91.1Very high40 Ų4033.6 Ų33.621%0.21420%0.195CC..Hα-helixtrans-66-46175.9-73.8-29000111.1S64 I65 W86 A102 L108S64-N104 WeakPolarHBondContact CA-OD1 3.28Å; S64-N104 WeakPolarHBondContact CB-OD1 3.3Å; I65-N104 PolarHBondContact N-OD1 3.44Å; I65-N104 PolarHBondContact O-ND2 3.32Å; W86-N104 HydrophobicContact CB-CB 3.9Å; W86-N104 VanDerWaalsContact CD1-CB 3.48Å; W86-N104 VanDerWaalsContact CD1-CG 3.43Å; W86-N104 HydrophobicContact CG-CB 3.72Å; W86-N104 PolarHBondContact NE1-ND2 3.08Å; A102-N104 VanDerWaalsContact C-N 3.35Å; A102-N104 PolarHBondContact O-N 3.23Å; N104-L108 WeakPolarHBondContact O-CB 3.47Å; N104-L108 PolarHBondContact O-N 3.2Å
105F98Very high90.8Very high0 Ų030.6 Ų30.60%018%0.179CC..Hα-helixtrans-59.5-52.3175.5161.7-107.8000111.8H22 W86 H87 D89 A90 Y93 Y95 A102 Q107 L108 V109 V147H22-F105 AromaticContact CE1-CE2 3.57Å; H22-F105 AromaticContact CE1-CZ 3.62Å; H22-F105 AromaticContact NE2-CE2 3.73Å; W86-F105 WeakPolarHBondContact O-CA 3.19Å; W86-F105 WeakPolarHBondContact O-CB 3.09Å; W86-F105 PolarHBondContact O-N 2.91Å; H87-F105 AromaticContact CD2-CD2 3.99Å; D89-F105 HydrophobicContact CB-CB 3.73Å; A90-F105 HydrophobicContact CB-CD1 4.17Å; A90-F105 HydrophobicContact CB-CD2 3.62Å; A90-F105 HydrophobicContact CB-CE1 4.08Å; A90-F105 HydrophobicContact CB-CE2 3.52Å; A90-F105 HydrophobicContact CB-CG 3.96Å; A90-F105 HydrophobicContact CB-CZ 3.78Å; Y93-F105 AromaticContact CD1-CE1 3.93Å; Y93-F105 HydrophobicContact CD1-CE1 3.93Å; Y93-F105 HydrophobicContact CG-CD1 4.28Å; Y93-F105 AromaticContact CG-CE1 3.93Å; Y93-F105 HydrophobicContact CG-CE1 3.93Å; Y95-F105 HydrophobicContact CE1-CE1 4.4Å; Y95-F105 HydrophobicContact CE1-CZ 4.19Å; Y95-F105 VanDerWaalsContact OH-CZ 3.28Å; Y95-F105 WeakPolarHBondContact OH-CZ 3.25Å; A102-F105 HydrophobicContact CB-CB 4.23Å; A102-F105 HydrophobicContact CB-CD1 4.03Å; A102-F105 WeakPolarHBondContact O-CB 3.4Å; A102-F105 PolarHBondContact O-N 2.97Å; A102-F105 VanDerWaalsContact O-N 3.09Å; F105-Q107 VanDerWaalsContact C-N 3.29Å; F105-Q107 PolarHBondContact O-N 3.23Å; F105-L108 WeakPolarHBondContact O-CB 3.31Å; F105-L108 PolarHBondContact O-N 3.03Å; F105-L108 VanDerWaalsContact O-N 3.1Å; F105-V109 HydrophobicContact CD2-CG1 4.11Å; F105-V109 HydrophobicContact CD2-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 4.15Å; F105-V109 HydrophobicContact CE2-CB 4.33Å; F105-V109 HydrophobicContact CE2-CG1 3.62Å; F105-V109 HydrophobicContact CE2-CG2 3.72Å; F105-V109 HydrophobicContact CZ-CG1 4.32Å; F105-V109 HydrophobicContact CZ-CG2 3.61Å; F105-V109 WeakPolarHBondContact O-CG2 3.36Å; F105-V109 PolarHBondContact O-N 3.47Å; F105-V147 HydrophobicContact CE1-CG1 3.67Å; F105-V147 HydrophobicContact CZ-CG1 3.99Å
106T97.1Very high91.1Very high3 Ų329.5 Ų29.52%0.01818%0.175CC..Hα-helixtrans-64.5-36.9-174.751.30000111.2Y93 A102 G103 W110 N138 Y143 V147Y93-T106 HydrophobicContact CD2-CG2 3.54Å; Y93-T106 HydrophobicContact CE2-CG2 3.64Å; Y93-T106 HydrophobicContact CG-CG2 4.23Å; A102-T106 HydrophobicContact CB-CG2 4.28Å; A102-T106 WeakPolarHBondContact O-CG2 3.33Å; A102-T106 PolarHBondContact O-N 3.05Å; A102-T106 PolarHBondContact O-OG1 2.87Å; A102-T106 VanDerWaalsContact O-OG1 3.07Å; G103-T106 WeakPolarHBondContact CA-OG1 3.47Å; G103-T106 PolarHBondContact O-OG1 3.39Å; T106-W110 WeakPolarHBondContact O-CA 3.5Å; T106-W110 WeakPolarHBondContact O-CB 3.37Å; T106-W110 PolarHBondContact O-N 3.45Å; T106-N138 VanDerWaalsContact CB-OD1 3.29Å; T106-N138 WeakPolarHBondContact CB-OD1 3.32Å; T106-N138 PolarHBondContact OG1-OD1 2.94Å; T106-Y143 HydrophobicContact CG2-CD1 4Å; T106-Y143 HydrophobicContact CG2-CE1 3.92Å; T106-V147 HydrophobicContact CG2-CG1 4.36Å; T106-V147 HydrophobicContact CG2-CG2 4.05Å
107Q97.4Very high91.5Very high2 Ų223.6 Ų23.61%0.00915%0.147CC..Hα-helixtrans-66.4-42.9172.5-178.859.57800111.9G103 F105 V109 W110 T113 Y133 N138G103-Q107 VanDerWaalsContact O-CB 3.3Å; G103-Q107 WeakPolarHBondContact O-CB 3.29Å; G103-Q107 PolarHBondContact O-N 2.89Å; G103-Q107 VanDerWaalsContact O-N 3.09Å; F105-Q107 VanDerWaalsContact C-N 3.29Å; F105-Q107 PolarHBondContact O-N 3.23Å; Q107-V109 VanDerWaalsContact C-N 3.34Å; Q107-V109 PolarHBondContact O-N 2.91Å; Q107-W110 WeakPolarHBondContact O-CB 3.33Å; Q107-W110 PolarHBondContact O-N 3.45Å; Q107-T113 PolarHBondContact NE2-OG1 2.69Å; Q107-T113 VanDerWaalsContact NE2-OG1 3.17Å; Q107-Y133 HydrophobicContact CB-CE2 4.48Å; Q107-Y133 HydrophobicContact CG-CD1 4.4Å; Q107-Y133 HydrophobicContact CG-CD2 3.18Å; Q107-Y133 HydrophobicContact CG-CE2 3.36Å; Q107-Y133 HydrophobicContact CG-CG 3.74Å; Q107-N138 PolarHBondContact N-OD1 2.97Å
108L97.8Very high91.9Very high0 Ų019.7 Ų19.70%013%0.126CC..Hα-helixtrans-58.5-44.5178.6178.7164.8000111.2H15 K18 R19 V83 W86 H87 N104 F105H15-L108 PolarHBondContact CE1-O 3.38Å; H15-L108 WeakPolarHBondContact NE2-CG 3.3Å; K18-L108 HydrophobicContact CB-CD2 3.71Å; K18-L108 HydrophobicContact CG-CD2 4.44Å; R19-L108 WeakPolarHBondContact CD-O 3.38Å; R19-L108 VanDerWaalsContact CG-O 3.31Å; R19-L108 WeakPolarHBondContact CG-O 3.12Å; R19-L108 PolarHBondContact NH1-O 3.49Å; V83-L108 HydrophobicContact CG1-CD1 3.95Å; W86-L108 HydrophobicContact CB-CD1 3.79Å; H87-L108 HydrophobicContact CB-CD1 4.25Å; N104-L108 WeakPolarHBondContact O-CB 3.47Å; N104-L108 PolarHBondContact O-N 3.2Å; F105-L108 WeakPolarHBondContact O-CB 3.31Å; F105-L108 PolarHBondContact O-N 3.03Å; F105-L108 VanDerWaalsContact O-N 3.1Å
109V95.5Very high92.5Very high0 Ų019.2 Ų19.20%012%0.122CC..THydrogen-bonded Turntrans-95.67.1-179.4-53.70000114.6H22 F105 Q107 S111 V147H22-V109 HydrophobicContact CB-CB 4.32Å; H22-V109 HydrophobicContact CB-CG1 4.36Å; F105-V109 HydrophobicContact CD2-CG1 4.11Å; F105-V109 HydrophobicContact CD2-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 4.15Å; F105-V109 HydrophobicContact CE2-CB 4.33Å; F105-V109 HydrophobicContact CE2-CG1 3.62Å; F105-V109 HydrophobicContact CE2-CG2 3.72Å; F105-V109 HydrophobicContact CZ-CG1 4.32Å; F105-V109 HydrophobicContact CZ-CG2 3.61Å; F105-V109 WeakPolarHBondContact O-CG2 3.36Å; F105-V109 PolarHBondContact O-N 3.47Å; Q107-V109 VanDerWaalsContact C-N 3.34Å; Q107-V109 PolarHBondContact O-N 2.91Å; V109-S111 PolarHBondContact O-N 3.49Å; V109-S111 VanDerWaalsContact O-N 3.09Å; V109-V147 HydrophobicContact CG2-CB 4.43Å; V109-V147 HydrophobicContact CG2-CG1 3.79Å; V109-V147 HydrophobicContact CG2-CG2 4.35Å
110W93.7Very high92.9Very high1 Ų114.7 Ų14.70%0.00410%0.102CC..  trans-59.9115.6-175.6-162.4-100.2000111.5R19 T106 Q107 S112 T113 V139 R142 Y143 N146 V147R19-W110 PolarHBondContact NH1-O 3.18Å; R19-W110 PolarHBondContact NH2-O 2.8Å; R19-W110 VanDerWaalsContact NH2-O 3.1Å; T106-W110 WeakPolarHBondContact O-CA 3.5Å; T106-W110 WeakPolarHBondContact O-CB 3.37Å; T106-W110 PolarHBondContact O-N 3.45Å; Q107-W110 WeakPolarHBondContact O-CB 3.33Å; Q107-W110 PolarHBondContact O-N 3.45Å; W110-S112 VanDerWaalsContact C-N 3.28Å; W110-S112 PolarHBondContact O-N 3.39Å; W110-T113 PolarHBondContact O-N 2.83Å; W110-V139 HydrophobicContact CH2-CB 4.48Å; W110-V139 HydrophobicContact CZ2-CB 4.03Å; W110-V139 HydrophobicContact CZ2-CG2 4.35Å; W110-R142 HydrophobicContact CH2-CB 3.88Å; W110-R142 WeakPolarHBondContact CH2-O 3.45Å; W110-R142 HydrophobicContact CZ2-CB 3.77Å; W110-Y143 HydrophobicContact CH2-CD1 4.47Å; W110-Y143 HydrophobicContact CH2-CD2 4.48Å; W110-Y143 HydrophobicContact CH2-CG 4.35Å; W110-Y143 AromaticContact CZ3-CD1 3.75Å; W110-Y143 HydrophobicContact CZ3-CD1 3.75Å; W110-Y143 AromaticContact CZ3-CE1 3.99Å; W110-Y143 HydrophobicContact CZ3-CE1 3.99Å; W110-Y143 HydrophobicContact CZ3-CG 4.05Å; W110-N146 HydrophobicContact CD2-CB 3.33Å; W110-N146 VanDerWaalsContact CE2-ND2 3.31Å; W110-N146 HydrophobicContact CE3-CB 3.6Å; W110-N146 HydrophobicContact CG-CB 3.86Å; W110-N146 HydrophobicContact CH2-CB 3.98Å; W110-N146 HydrophobicContact CZ2-CB 3.75Å; W110-N146 WeakPolarHBondContact CZ2-ND2 3.08Å; W110-N146 HydrophobicContact CZ3-CB 3.91Å; W110-N146 VanDerWaalsContact NE1-CG 3.33Å; W110-N146 PolarHBondContact NE1-OD1 3.08Å; W110-V147 HydrophobicContact CE3-CG2 3.84Å; W110-V147 HydrophobicContact CZ3-CG2 4.07Å
111S87.1Confident93.3Very high12 Ų1213 Ų138%0.0848%0.084CC..THydrogen-bonded Turntrans-63.3-32.2-172.379.30000113.3V109 R114 E145 N146V109-S111 PolarHBondContact O-N 3.49Å; V109-S111 VanDerWaalsContact O-N 3.09Å; S111-R114 PolarHBondContact O-NH1 3.02Å; S111-E145 PolarHBondContact OG-O 3.29Å; S111-N146 WeakPolarHBondContact CB-O 3.33Å; S111-N146 PolarHBondContact N-O 3.06Å; S111-N146 WeakPolarHBondContact OG-CA 3.45Å; S111-N146 PolarHBondContact OG-OD1 3.19Å
112S82.3Confident93.6Very high10 Ų1010.4 Ų10.47%0.077%0.067CC..THydrogen-bonded Turntrans-81.4-7.6179.5-63.20000114.9W110 R114 P135 N146 K296W110-S112 VanDerWaalsContact C-N 3.28Å; W110-S112 PolarHBondContact O-N 3.39Å; S112-R114 VanDerWaalsContact O-CZ 3.28Å; S112-R114 PolarHBondContact O-NH1 3.29Å; S112-P135 WeakPolarHBondContact O-CD 3.29Å; S112-N146 WeakPolarHBondContact CB-OD1 3.16Å; S112-N146 PolarHBondContact N-OD1 2.91Å; S112-N146 PolarHBondContact OG-OD1 3.48Å; S112-K296 PolarHBondContact OG-NZ 3.15Å
113T89.3Confident93.5Very high1 Ų111.5 Ų11.51%0.0068%0.079CC..  trans-75.1146.7174-64.80000109.9L27 Q107 W110 Y133 P135L27-T113 HydrophobicContact CD1-CG2 3.96Å; L27-T113 VanDerWaalsContact CD2-C 3.41Å; L27-T113 HydrophobicContact CD2-CG2 3.8Å; L27-T113 WeakPolarHBondContact CD2-O 3.28Å; Q107-T113 PolarHBondContact NE2-OG1 2.69Å; Q107-T113 VanDerWaalsContact NE2-OG1 3.17Å; W110-T113 PolarHBondContact O-N 2.83Å; T113-Y133 HydrophobicContact CG2-CD1 3.88Å; T113-Y133 HydrophobicContact CG2-CG 4.26Å; T113-P135 PolarHBondContact OG1-O 2.96Å
114R81.1Confident93.3Very high20 Ų2015.6 Ų15.68%0.07510%0.099CC..  trans-124.8-35.3-171.8-61.3-60.6179.6-96.8-17.4114.3L27 R28 S111 S112 R134 I208 E210L27-R114 CarbonylContact C-O 3.56Å; L27-R114 VanDerWaalsContact CA-O 3.26Å; L27-R114 WeakPolarHBondContact CA-O 3.35Å; R28-R114 PolarHBondContact N-O 3.09Å; S111-R114 PolarHBondContact O-NH1 3.02Å; S112-R114 VanDerWaalsContact O-CZ 3.28Å; S112-R114 PolarHBondContact O-NH1 3.29Å; R114-R134 WeakPolarHBondContact CA-O 3.26Å; R114-R134 PolarHBondContact N-O 3.4Å; R114-I208 VanDerWaalsContact NH2-CB 3.29Å; R114-I208 VanDerWaalsContact NH2-CD1 3.25Å; R114-E210 WeakPolarHBondContact CD-OE1 3.3Å; R114-E210 WeakPolarHBondContact CD-OE2 3.29Å; R114-E210 WeakPolarHBondContact CG-OE1 3.3Å; R114-E210 IonicContact NE-OE1 3.92Å; R114-E210 PolarHBondContact NE-OE1 3.43Å
115E86.7Confident93Very high8 Ų814.4 Ų14.44%0.03710%0.096CC..EExtended strand (participates in β ladder)trans-135.3154.5-179.460.6172171.600111.5R28 S30 L33 Y133 R134R28-E115 HydrophobicContact CB-CB 4.29Å; R28-E115 IonicContact CZ-OE2 3.34Å; R28-E115 IonicContact NE-OE2 3.62Å; R28-E115 IonicContact NH2-OE2 3.44Å; R28-E115 PolarHBondContact NH2-OE2 3.27Å; R28-E115 CarbonylContact O-C 3.52Å; R28-E115 WeakPolarHBondContact O-CA 3.38Å; R28-E115 WeakPolarHBondContact O-CB 3.21Å; S30-E115 WeakPolarHBondContact CB-OE2 3.45Å; S30-E115 PolarHBondContact OG-OE2 3.23Å; L33-E115 HydrophobicContact CD1-CB 4.4Å; L33-E115 HydrophobicContact CD1-CG 3.74Å; E115-Y133 WeakPolarHBondContact O-CA 3.14Å; E115-R134 HydrophobicContact CG-CB 3.56Å; E115-R134 PolarHBondContact N-O 2.87Å; E115-R134 PolarHBondContact O-N 2.94Å; E115-R134 VanDerWaalsContact OE1-CB 3.29Å; E115-R134 WeakPolarHBondContact OE1-CB 3.4Å; E115-R134 WeakPolarHBondContact OE1-CD 3.29Å
116V96Very high92.8Very high0 Ų016.1 Ų16.10%010%0.103CC..EExtended strand (participates in β ladder)trans-140.7146.5178.261.40000109.8F12 L27 R28 H29 S30 F118 A131 H132 Y133F12-V116 HydrophobicContact CD2-CG1 4Å; F12-V116 HydrophobicContact CE2-CG1 4.34Å; L27-V116 HydrophobicContact CB-CG1 3.95Å; L27-V116 HydrophobicContact CD1-CB 3.76Å; L27-V116 HydrophobicContact CD1-CG1 3.82Å; R28-V116 PolarHBondContact O-N 3.23Å; H29-V116 WeakPolarHBondContact CA-O 3.47Å; S30-V116 PolarHBondContact N-O 3.32Å; V116-F118 HydrophobicContact CB-CE2 4.4Å; V116-F118 HydrophobicContact CB-CZ 4.22Å; V116-F118 HydrophobicContact CG1-CE2 3.73Å; V116-F118 HydrophobicContact CG1-CZ 3.75Å; V116-F118 HydrophobicContact CG2-CD1 4.28Å; V116-F118 HydrophobicContact CG2-CD2 4.42Å; V116-F118 HydrophobicContact CG2-CE1 3.64Å; V116-F118 HydrophobicContact CG2-CE2 3.8Å; V116-F118 HydrophobicContact CG2-CZ 3.37Å; V116-A131 HydrophobicContact CG2-CB 4.21Å; V116-H132 VanDerWaalsContact CA-O 3.28Å; V116-H132 WeakPolarHBondContact CA-O 3.15Å; V116-Y133 HydrophobicContact CB-CD1 3.84Å; V116-Y133 HydrophobicContact CB-CE1 3.86Å; V116-Y133 HydrophobicContact CG2-CD1 3.65Å; V116-Y133 HydrophobicContact CG2-CE1 3.3Å
117G97Very high92.8Very high0 Ų016 Ų160%010%0.103CC..EExtended strand (participates in β ladder)trans-134.8154.7163.800000110.9D34 A131 H132D34-G117 WeakPolarHBondContact OD1-CA 3.47Å; G117-A131 CarbonylContact O-C 3.59Å; G117-A131 VanDerWaalsContact O-CA 3.3Å; G117-A131 WeakPolarHBondContact O-CA 3.32Å; G117-H132 PolarHBondContact N-O 3.17Å; G117-H132 PolarHBondContact O-N 3.46Å
118F98.5Very high92.8Very high0 Ų015.9 Ų15.90%010%0.102CC..EExtended strand (participates in β ladder)trans-125136.1-172.3-52.5-85.2000111.5R8 C11 F12 H15 D34 W86 V116 V130 A131R8-F118 HydrophobicContact CG-CB 4.15Å; R8-F118 PolarHBondContact NE-O 2.97Å; C11-F118 HydrophobicContact CB-CB 4.42Å; C11-F118 HydrophobicContact CB-CD1 3.64Å; C11-F118 HydrophobicContact CB-CD2 3.75Å; C11-F118 HydrophobicContact CB-CE1 3.69Å; C11-F118 HydrophobicContact CB-CE2 3.8Å; C11-F118 HydrophobicContact CB-CG 3.67Å; C11-F118 HydrophobicContact CB-CZ 3.76Å; F12-F118 HydrophobicContact CB-CE2 3.95Å; F12-F118 HydrophobicContact CD2-CE2 4.45Å; H15-F118 HydrophobicContact CB-CZ 4.27Å; D34-F118 PolarHBondContact OD1-N 3.35Å; W86-F118 HydrophobicContact CZ3-CE1 4.41Å; V116-F118 HydrophobicContact CB-CE2 4.4Å; V116-F118 HydrophobicContact CB-CZ 4.22Å; V116-F118 HydrophobicContact CG1-CE2 3.73Å; V116-F118 HydrophobicContact CG1-CZ 3.75Å; V116-F118 HydrophobicContact CG2-CD1 4.28Å; V116-F118 HydrophobicContact CG2-CD2 4.42Å; V116-F118 HydrophobicContact CG2-CE1 3.64Å; V116-F118 HydrophobicContact CG2-CE2 3.8Å; V116-F118 HydrophobicContact CG2-CZ 3.37Å; F118-V130 WeakPolarHBondContact CA-O 3.38Å; F118-A131 HydrophobicContact CD1-CB 3.66Å; F118-A131 HydrophobicContact CE1-CB 3.75Å
119G98.3Very high92.8Very high0 Ų015.9 Ų15.90%010%0.102CC..EExtended strand (participates in β ladder)trans-122.2147.7172.100000110.7V129 V130G119-V129 WeakPolarHBondContact O-CA 3.31Å; G119-V130 PolarHBondContact N-O 3.05Å; G119-V130 PolarHBondContact O-N 3.4Å
120K98Very high93Very high23 Ų2315.9 Ų15.910%0.110%0.102CC..EExtended strand (participates in β ladder)trans-145.7129.8176.5175.8174165-171.50110.7L4 F7 Q38 D76 M77 C122 V128 V129L4-K120 HydrophobicContact CD1-CB 4.03Å; F7-K120 HydrophobicContact CD1-CB 3.91Å; F7-K120 HydrophobicContact CD1-CD 3.86Å; F7-K120 HydrophobicContact CD2-CD 3.6Å; F7-K120 HydrophobicContact CE1-CB 3.58Å; F7-K120 HydrophobicContact CE1-CD 3.8Å; F7-K120 HydrophobicContact CE1-CG 4.31Å; F7-K120 HydrophobicContact CE2-CD 3.52Å; F7-K120 HydrophobicContact CG-CD 3.77Å; F7-K120 HydrophobicContact CZ-CB 4.04Å; F7-K120 HydrophobicContact CZ-CD 3.63Å; F7-K120 HydrophobicContact CZ-CG 4.35Å; Q38-K120 PolarHBondContact NE2-O 3.49Å; Q38-K120 PolarHBondContact OE1-O 2.98Å; D76-K120 WeakPolarHBondContact OD1-CE 3.24Å; D76-K120 IonicContact OD1-NZ 3.6Å; D76-K120 PolarHBondContact OD1-NZ 2.6Å; D76-K120 IonicContact OD2-NZ 3.44Å; M77-K120 PolarHBondContact O-NZ 3.47Å; K120-C122 VanDerWaalsContact CE-SG 3.5Å; K120-V128 WeakPolarHBondContact CA-O 3.48Å; K120-V129 HydrophobicContact CB-CG2 3.98Å; K120-V129 HydrophobicContact CD-CG2 4.01Å; K120-V129 HydrophobicContact CG-CG2 3.8Å
121A96.2Very high93.2Very high8 Ų815.8 Ų15.87%0.06610%0.102CC..EExtended strand (participates in β ladder)trans-133.9126.2174.700000108.9A41 E42 L45 C127 V128A41-A121 HydrophobicContact CB-CB 4.02Å; E42-A121 HydrophobicContact CB-CB 4.38Å; E42-A121 HydrophobicContact CG-CB 3.74Å; L45-A121 HydrophobicContact CD1-CB 3.48Å; L45-A121 VanDerWaalsContact CD1-CB 3.48Å; L45-A121 HydrophobicContact CG-CB 3.91Å; A121-C127 WeakPolarHBondContact O-CA 3.29Å; A121-C127 PolarHBondContact O-SG 2.78Å; A121-C127 VanDerWaalsContact O-SG 3.36Å; A121-V128 PolarHBondContact N-O 3.35Å; A121-V128 PolarHBondContact O-N 3.09Å
122C94.5Very high93.7Very high55 Ų5515.2 Ų15.237%0.37210%0.098SC..EExtended strand (participates in β ladder)trans-120.2130.8174-48.60000109.5V75 D76 K120 K126 C127V75-C122 WeakPolarHBondContact O-CB 3.15Å; V75-C122 PolarHBondContact O-SG 3.19Å; D76-C122 PolarHBondContact OD1-SG 3.29Å; K120-C122 VanDerWaalsContact CE-SG 3.5Å; C122-K126 CarbonylContact C-O 3.48Å; C122-K126 WeakPolarHBondContact CA-O 3.44Å; C122-C127 HydrophobicContact CB-CB 3.64Å; C122-C127 WeakPolarHBondContact CB-SG 3.45Å; C122-C127 WeakPolarHBondContact SG-CB 3.43Å; C122-C127 CovalentContact SG-SG 2.05Å; C122-C127 PolarHBondContact SG-SG 3.29Å
123G90.9Very high94.3Very high23 Ų2314.8 Ų14.824%0.23710%0.095CC..EExtended strand (participates in β ladder)trans-122-171.2171.400000111G125 K126G123-G125 PolarHBondContact O-N 3Å; G123-G125 VanDerWaalsContact O-N 3.08Å; G123-K126 PolarHBondContact N-O 3.43Å; G123-K126 PolarHBondContact O-N 3.31Å; G123-K126 VanDerWaalsContact O-O 3.08Å
124P87.9Confident94.1Very high122 Ų12217.1 Ų17.179%0.79210%0.103SC*.THydrogen-bonded Turntrans-57.2115.7178.7-23.434.1000111.4K126P124-K126 PolarHBondContact O-N 2.97Å; P124-K126 VanDerWaalsContact O-N 3.17Å
125G90.5Very high94.2Very high14 Ų1416.2 Ų16.214%0.14410%0.1CC..THydrogen-bonded Turntrans714.3175.400000116.3T69 S70 G72 T73 G123T69-G125 CarbonylContact C-O 3.49Å; T69-G125 WeakPolarHBondContact CA-O 3.46Å; S70-G125 PolarHBondContact N-O 2.93Å; S70-G125 WeakPolarHBondContact O-CA 3.47Å; G72-G125 VanDerWaalsContact O-CA 3.26Å; G72-G125 WeakPolarHBondContact O-CA 3.45Å; T73-G125 PolarHBondContact O-N 3.36Å; G123-G125 PolarHBondContact O-N 3Å; G123-G125 VanDerWaalsContact O-N 3.08Å
126K93.7Very high94.2Very high36 Ų3616 Ų1616%0.15710%0.099CC..EExtended strand (participates in β ladder)trans-146.6132.7-178-175177.3173.5-168.40111.3L44 L45 E47 V67 R68 T69 C122 G123 P124 V128L44-K126 PolarHBondContact O-NZ 3.1Å; L45-K126 HydrophobicContact CD2-CB 4.34Å; L45-K126 HydrophobicContact CD2-CD 4.38Å; L45-K126 HydrophobicContact CD2-CG 4.12Å; L45-K126 WeakPolarHBondContact CD2-O 3.37Å; L45-K126 PolarHBondContact O-NZ 3.26Å; E47-K126 PolarHBondContact O-NZ 3.41Å; V67-K126 HydrophobicContact CG1-CG 4.18Å; R68-K126 CarbonylContact O-C 3.49Å; R68-K126 WeakPolarHBondContact O-CA 3.4Å; T69-K126 HydrophobicContact CG2-CB 4.37Å; T69-K126 HydrophobicContact CG2-CG 4.08Å; C122-K126 CarbonylContact C-O 3.48Å; C122-K126 WeakPolarHBondContact CA-O 3.44Å; G123-K126 PolarHBondContact N-O 3.43Å; G123-K126 PolarHBondContact O-N 3.31Å; G123-K126 VanDerWaalsContact O-O 3.08Å; P124-K126 PolarHBondContact O-N 2.97Å; P124-K126 VanDerWaalsContact O-N 3.17Å; K126-V128 HydrophobicContact CG-CG2 4.37Å
127C95.8Very high94Very high0 Ų016.1 Ų16.10%010%0.101CC..EExtended strand (participates in β ladder)trans-127.2140.2167.2-1660000110.8V67 R68 V75 M77 A121 C122V67-C127 WeakPolarHBondContact CA-O 3.5Å; R68-C127 PolarHBondContact N-O 2.9Å; R68-C127 PolarHBondContact O-N 3.03Å; V75-C127 HydrophobicContact CB-CB 4.43Å; V75-C127 HydrophobicContact CG1-CB 3.95Å; M77-C127 HydrophobicContact CE-CB 3.96Å; M77-C127 VanDerWaalsContact CE-O 3.27Å; M77-C127 WeakPolarHBondContact CE-O 3.34Å; A121-C127 WeakPolarHBondContact O-CA 3.29Å; A121-C127 PolarHBondContact O-SG 2.78Å; A121-C127 VanDerWaalsContact O-SG 3.36Å; C122-C127 HydrophobicContact CB-CB 3.64Å; C122-C127 WeakPolarHBondContact CB-SG 3.45Å; C122-C127 WeakPolarHBondContact SG-CB 3.43Å; C122-C127 CovalentContact SG-SG 2.05Å; C122-C127 PolarHBondContact SG-SG 3.29Å
128V97.6Very high93.8Very high0 Ų017 Ų170%011%0.105CC..EExtended strand (participates in β ladder)trans-123.8135.1-178.7-177.90000108.6A41 L44 L45 I65 S66 V67 K120 A121 K126 V130A41-V128 HydrophobicContact CB-CG1 4.37Å; L44-V128 HydrophobicContact CB-CG1 3.92Å; L44-V128 HydrophobicContact CB-CG2 4.3Å; L44-V128 HydrophobicContact CD1-CG1 3.87Å; L45-V128 HydrophobicContact CD2-CG2 4.02Å; L45-V128 HydrophobicContact CG-CG2 4.43Å; I65-V128 HydrophobicContact CG2-CG1 4.35Å; S66-V128 WeakPolarHBondContact O-CA 3.49Å; V67-V128 HydrophobicContact CG1-CG2 4.32Å; V67-V128 HydrophobicContact CG2-CG1 4.22Å; V67-V128 HydrophobicContact CG2-CG2 4.08Å; K120-V128 WeakPolarHBondContact CA-O 3.48Å; A121-V128 PolarHBondContact N-O 3.35Å; A121-V128 PolarHBondContact O-N 3.09Å; K126-V128 HydrophobicContact CG-CG2 4.37Å; V128-V130 HydrophobicContact CG1-CG2 4.11Å
129V98.5Very high93.2Very high0 Ų018 Ų180%011%0.112CC..EExtended strand (participates in β ladder)trans-124.5131.9171.31700000108.7F7 I65 S66 M77 V82 W86 G119 K120F7-V129 HydrophobicContact CE1-CG1 4.26Å; F7-V129 HydrophobicContact CE1-CG2 4.27Å; F7-V129 HydrophobicContact CE2-CG2 4.17Å; F7-V129 HydrophobicContact CZ-CB 4.3Å; F7-V129 HydrophobicContact CZ-CG1 3.74Å; F7-V129 HydrophobicContact CZ-CG2 3.49Å; F7-V129 VanDerWaalsContact CZ-CG2 3.49Å; I65-V129 CarbonylContact C-O 3.55Å; I65-V129 WeakPolarHBondContact CA-O 3.39Å; S66-V129 PolarHBondContact N-O 2.82Å; S66-V129 PolarHBondContact O-N 2.87Å; M77-V129 HydrophobicContact CE-CB 4.16Å; M77-V129 HydrophobicContact CE-CG2 3.66Å; V82-V129 HydrophobicContact CG1-CB 4.27Å; V82-V129 HydrophobicContact CG1-CG1 3.86Å; V82-V129 HydrophobicContact CG2-CB 4.29Å; V82-V129 HydrophobicContact CG2-CG1 4.39Å; V82-V129 HydrophobicContact CG2-CG2 4.15Å; W86-V129 HydrophobicContact CH2-CG1 4.03Å; W86-V129 HydrophobicContact CZ2-CG1 4.32Å; G119-V129 WeakPolarHBondContact O-CA 3.31Å; K120-V129 HydrophobicContact CB-CG2 3.98Å; K120-V129 HydrophobicContact CD-CG2 4.01Å; K120-V129 HydrophobicContact CG-CG2 3.8Å
130V98.7Very high92.5Very high0 Ų018.4 Ų18.40%011%0.114CC..EExtended strand (participates in β ladder)trans-123135178.1179.80000108.1A37 A41 L44 E63 S64 I65 F118 G119 V128A37-V130 HydrophobicContact CB-CB 4.24Å; A37-V130 HydrophobicContact CB-CG1 4.03Å; A41-V130 HydrophobicContact CB-CB 4.39Å; A41-V130 HydrophobicContact CB-CG2 3.87Å; L44-V130 HydrophobicContact CD1-CG2 4.05Å; E63-V130 HydrophobicContact CG-CG1 4.2Å; S64-V130 CarbonylContact O-C 3.55Å; S64-V130 WeakPolarHBondContact O-CA 3.32Å; I65-V130 HydrophobicContact CG1-CG2 4.35Å; F118-V130 WeakPolarHBondContact CA-O 3.38Å; G119-V130 PolarHBondContact N-O 3.05Å; G119-V130 PolarHBondContact O-N 3.4Å; V128-V130 HydrophobicContact CG1-CG2 4.11Å
131A98.8Very high91.8Very high0 Ų019.4 Ų19.40%013%0.13CC..EExtended strand (participates in β ladder)trans-113.4129.4163.500000109E63 S64 W86 V116 G117 F118 Y133E63-A131 VanDerWaalsContact CA-O 3.29Å; E63-A131 WeakPolarHBondContact CA-O 3.48Å; S64-A131 PolarHBondContact N-O 2.97Å; S64-A131 PolarHBondContact O-N 3.17Å; W86-A131 HydrophobicContact CH2-CB 3.54Å; W86-A131 HydrophobicContact CZ3-CB 3.65Å; V116-A131 HydrophobicContact CG2-CB 4.21Å; G117-A131 CarbonylContact O-C 3.59Å; G117-A131 VanDerWaalsContact O-CA 3.3Å; G117-A131 WeakPolarHBondContact O-CA 3.32Å; F118-A131 HydrophobicContact CD1-CB 3.66Å; F118-A131 HydrophobicContact CE1-CB 3.75Å; A131-Y133 HydrophobicContact CB-CE1 4.4Å; A131-Y133 HydrophobicContact CB-CE2 3.61Å; A131-Y133 VanDerWaalsContact CB-OH 3.25Å; A131-Y133 WeakPolarHBondContact CB-OH 3.32Å
132H98.1Very high91.2Very high0 Ų021.7 Ų21.70%014%0.137CC..EExtended strand (participates in β ladder)trans-103.9142.2168.5-74.3169.8000110.2L33 T36 A37 S53 V61 G62 E63 V116 G117L33-H132 HydrophobicContact CB-CB 4.25Å; L33-H132 HydrophobicContact CD2-CB 4.03Å; T36-H132 PolarHBondContact O-CE1 3.27Å; T36-H132 PolarHBondContact OG1-ND1 3.23Å; A37-H132 HydrophobicContact CB-CB 4.31Å; A37-H132 PolarHBondContact N-ND1 3.31Å; S53-H132 PolarHBondContact OG-NE2 3.13Å; V61-H132 HydrophobicContact CB-CB 4.25Å; V61-H132 HydrophobicContact CG1-CB 4.43Å; V61-H132 HydrophobicContact CG2-CB 4.36Å; G62-H132 CarbonylContact O-C 3.6Å; G62-H132 WeakPolarHBondContact O-CA 3.04Å; E63-H132 IonicContact OE2-CD2 3.73Å; E63-H132 IonicContact OE2-NE2 2.77Å; E63-H132 PolarHBondContact OE2-NE2 3.3Å; V116-H132 VanDerWaalsContact CA-O 3.28Å; V116-H132 WeakPolarHBondContact CA-O 3.15Å; G117-H132 PolarHBondContact N-O 3.17Å; G117-H132 PolarHBondContact O-N 3.46Å
133Y95.4Very high90.9Very high0 Ų020.5 Ų20.50%013%0.125CC..EExtended strand (participates in β ladder)trans-126143.8-173.7-61-81.2000111.5H15 L27 V61 G62 S64 Q107 T113 E115 V116 A131H15-Y133 AromaticContact CE1-CE1 3.73Å; H15-Y133 AromaticContact NE2-CE1 3.22Å; H15-Y133 WeakPolarHBondContact NE2-CE1 3.35Å; H15-Y133 AromaticContact NE2-CZ 3.53Å; H15-Y133 PolarHBondContact NE2-OH 3.22Å; L27-Y133 HydrophobicContact CD1-CD1 4.08Å; L27-Y133 HydrophobicContact CD1-CE1 4.18Å; V61-Y133 CarbonylContact C-O 3.56Å; V61-Y133 WeakPolarHBondContact CA-O 3.1Å; G62-Y133 PolarHBondContact N-O 2.84Å; G62-Y133 PolarHBondContact O-N 2.99Å; S64-Y133 WeakPolarHBondContact OG-CE2 3.14Å; Q107-Y133 HydrophobicContact CB-CE2 4.48Å; Q107-Y133 HydrophobicContact CG-CD1 4.4Å; Q107-Y133 HydrophobicContact CG-CD2 3.18Å; Q107-Y133 HydrophobicContact CG-CE2 3.36Å; Q107-Y133 HydrophobicContact CG-CG 3.74Å; T113-Y133 HydrophobicContact CG2-CD1 3.88Å; T113-Y133 HydrophobicContact CG2-CG 4.26Å; E115-Y133 WeakPolarHBondContact O-CA 3.14Å; V116-Y133 HydrophobicContact CB-CD1 3.84Å; V116-Y133 HydrophobicContact CB-CE1 3.86Å; V116-Y133 HydrophobicContact CG2-CD1 3.65Å; V116-Y133 HydrophobicContact CG2-CE1 3.3Å; A131-Y133 HydrophobicContact CB-CE1 4.4Å; A131-Y133 HydrophobicContact CB-CE2 3.61Å; A131-Y133 VanDerWaalsContact CB-OH 3.25Å; A131-Y133 WeakPolarHBondContact CB-OH 3.32Å
134R84.3Confident90.7Very high50 Ų5022.6 Ų22.619%0.18913%0.131CC..EExtended strand (participates in β ladder)trans-138.2135.9170.1-86.7-179.1-170.31553.6111.3L33 V61 R114 E115 G294L33-R134 HydrophobicContact CD1-CB 4.11Å; L33-R134 HydrophobicContact CD1-CG 4.3Å; L33-R134 HydrophobicContact CD2-CG 4.18Å; V61-R134 HydrophobicContact CG1-CG 4.3Å; R114-R134 WeakPolarHBondContact CA-O 3.26Å; R114-R134 PolarHBondContact N-O 3.4Å; E115-R134 HydrophobicContact CG-CB 3.56Å; E115-R134 PolarHBondContact N-O 2.87Å; E115-R134 PolarHBondContact O-N 2.94Å; E115-R134 VanDerWaalsContact OE1-CB 3.29Å; E115-R134 WeakPolarHBondContact OE1-CB 3.4Å; E115-R134 WeakPolarHBondContact OE1-CD 3.29Å; R134-G294 VanDerWaalsContact CB-O 3.26Å; R134-G294 WeakPolarHBondContact CB-O 3.46Å
135P82.1Confident90.3Very high1 Ų119.6 Ų19.61%0.00611%0.106CC..SBendcis-52.5156-19.9-30.538.8000114.6S112 T113 G137 V291 K296S112-P135 WeakPolarHBondContact O-CD 3.29Å; T113-P135 PolarHBondContact OG1-O 2.96Å; P135-G137 PolarHBondContact O-N 2.71Å; P135-V291 HydrophobicContact CG-CG1 4.27Å; P135-V291 HydrophobicContact CG-CG2 3.61Å; P135-K296 HydrophobicContact CB-CB 3.4Å; P135-K296 VanDerWaalsContact CB-CB 3.4Å; P135-K296 HydrophobicContact CG-CB 3.65Å
136P87.7Confident90.2Very high3 Ų319 Ų192%0.01910%0.099CC..  trans-55.7136.9168.524.5-34.3000110.9P384P136-P384 HydrophobicContact CG-CG 4.36Å
137G91Very high90.2Very high3 Ų317.3 Ų17.33%0.0319%0.092CC..  trans-90.6-161.1168.300000111.2P135 V139P135-G137 PolarHBondContact O-N 2.71Å; G137-V139 PolarHBondContact O-N 3.36Å
138N92.4Very high89.9Confident19 Ų1918.6 Ų18.610%0.10210%0.098CC..  trans55.327.5177.3-61.7-17.3000113.8G103 T106 Q107 L140 Y143 I388G103-N138 PolarHBondContact O-ND2 2.99Å; T106-N138 VanDerWaalsContact CB-OD1 3.29Å; T106-N138 WeakPolarHBondContact CB-OD1 3.32Å; T106-N138 PolarHBondContact OG1-OD1 2.94Å; Q107-N138 PolarHBondContact N-OD1 2.97Å; N138-L140 PolarHBondContact O-N 2.85Å; N138-Y143 WeakPolarHBondContact CB-OH 3.22Å; N138-Y143 PolarHBondContact O-OH 3.47Å; N138-I388 HydrophobicContact CB-CG2 4.01Å; N138-I388 WeakPolarHBondContact O-CB 3.4Å; N138-I388 WeakPolarHBondContact O-CG2 3.49Å
139V86.2Confident89.5Confident21 Ų2125 Ų2513%0.12712%0.122CC..BIsolated β-bridgetrans-68.8125.3174.5-177.10000108.1W110 G137 R142W110-V139 HydrophobicContact CH2-CB 4.48Å; W110-V139 HydrophobicContact CZ2-CB 4.03Å; W110-V139 HydrophobicContact CZ2-CG2 4.35Å; G137-V139 PolarHBondContact O-N 3.36Å; V139-R142 HydrophobicContact CB-CB 4.11Å; V139-R142 HydrophobicContact CB-CG 3.97Å; V139-R142 HydrophobicContact CG1-CB 4.4Å; V139-R142 HydrophobicContact CG1-CG 3.72Å; V139-R142 WeakPolarHBondContact O-CB 3.44Å; V139-R142 PolarHBondContact O-N 3.43Å; V139-R142 VanDerWaalsContact O-N 3.07Å
140L84.8Confident89Confident8 Ų828 Ų284%0.04214%0.141CC..THydrogen-bonded Turntrans-61.8141.2-173.9-172.868000110.9N138 R142 P334 D335 I337 N386 I388 F391N138-L140 PolarHBondContact O-N 2.85Å; L140-R142 PolarHBondContact O-N 2.96Å; L140-P334 HydrophobicContact CD2-CB 4.19Å; L140-P334 HydrophobicContact CD2-CG 3.72Å; L140-P334 WeakPolarHBondContact CD2-O 3.41Å; L140-D335 WeakPolarHBondContact CD1-O 3.28Å; L140-I337 HydrophobicContact CB-CG2 3.83Å; L140-I337 HydrophobicContact CD2-CG2 3.69Å; L140-I337 HydrophobicContact CG-CG2 3.91Å; L140-I337 WeakPolarHBondContact O-CD1 3.35Å; L140-I337 VanDerWaalsContact O-CG1 3.27Å; L140-I337 WeakPolarHBondContact O-CG1 3.38Å; L140-N386 PolarHBondContact N-O 2.89Å; L140-I388 HydrophobicContact CD1-CD1 4.21Å; L140-F391 HydrophobicContact CB-CE2 4.29Å; L140-F391 HydrophobicContact CB-CZ 4.39Å; L140-F391 HydrophobicContact CD2-CE2 3.89Å; L140-F391 HydrophobicContact CD2-CZ 3.91Å
141G81.7Confident88.1Confident44 Ų4432.2 Ų32.245%0.45416%0.16SC..THydrogen-bonded Turntrans69.15.4-175.100000115.4
142R83.8Confident86.7Confident57 Ų5742.7 Ų42.722%0.21521%0.205CC..  trans-113.712178.5-56.5-57.5-156.1-1330.7113.6W110 V139 L140 E145 N146 N287W110-R142 HydrophobicContact CH2-CB 3.88Å; W110-R142 WeakPolarHBondContact CH2-O 3.45Å; W110-R142 HydrophobicContact CZ2-CB 3.77Å; V139-R142 HydrophobicContact CB-CB 4.11Å; V139-R142 HydrophobicContact CB-CG 3.97Å; V139-R142 HydrophobicContact CG1-CB 4.4Å; V139-R142 HydrophobicContact CG1-CG 3.72Å; V139-R142 WeakPolarHBondContact O-CB 3.44Å; V139-R142 PolarHBondContact O-N 3.43Å; V139-R142 VanDerWaalsContact O-N 3.07Å; L140-R142 PolarHBondContact O-N 2.96Å; R142-E145 HydrophobicContact CB-CG 3.97Å; R142-E145 WeakPolarHBondContact CB-OE1 3.46Å; R142-E145 WeakPolarHBondContact CD-OE1 3.25Å; R142-E145 WeakPolarHBondContact CD-OE2 3.35Å; R142-E145 WeakPolarHBondContact O-CG 3.15Å; R142-N146 PolarHBondContact O-N 3.48Å; R142-N146 PolarHBondContact O-ND2 3.32Å; R142-N287 PolarHBondContact NE-ND2 2.86Å; R142-N287 VanDerWaalsContact NE-ND2 3.2Å; R142-N287 PolarHBondContact NH2-ND2 2.86Å; R142-N287 VanDerWaalsContact NH2-ND2 3.14Å; R142-N287 PolarHBondContact NH2-OD1 2.84Å
143Y89.3Confident84.6Confident30 Ų3045 Ų4512%0.11822%0.221CC..Hα-helixtrans-67.1-46.2-176.8-77.5-92.3000112.6Y93 T106 W110 N138 E145 N146 V147Y93-Y143 AromaticContact CE2-CD1 3.92Å; Y93-Y143 HydrophobicContact CE2-CD1 3.92Å; Y93-Y143 WeakPolarHBondContact OH-CB 3.36Å; T106-Y143 HydrophobicContact CG2-CD1 4Å; T106-Y143 HydrophobicContact CG2-CE1 3.92Å; W110-Y143 HydrophobicContact CH2-CD1 4.47Å; W110-Y143 HydrophobicContact CH2-CD2 4.48Å; W110-Y143 HydrophobicContact CH2-CG 4.35Å; W110-Y143 AromaticContact CZ3-CD1 3.75Å; W110-Y143 HydrophobicContact CZ3-CD1 3.75Å; W110-Y143 AromaticContact CZ3-CE1 3.99Å; W110-Y143 HydrophobicContact CZ3-CE1 3.99Å; W110-Y143 HydrophobicContact CZ3-CG 4.05Å; N138-Y143 WeakPolarHBondContact CB-OH 3.22Å; N138-Y143 PolarHBondContact O-OH 3.47Å; Y143-E145 VanDerWaalsContact C-N 3.26Å; Y143-E145 PolarHBondContact O-N 3.48Å; Y143-N146 PolarHBondContact O-N 2.74Å; Y143-V147 HydrophobicContact CD1-CG2 4.37Å; Y143-V147 WeakPolarHBondContact O-CB 3.28Å; Y143-V147 PolarHBondContact O-N 2.66Å
144L85.9Confident82.3Confident66 Ų6650.7 Ų50.735%0.34626%0.256SS..Hα-helixtrans-67.5-23.5-176.6-64-178.6000114.2Y95Y95-L144 VanDerWaalsContact O-CD2 3.23Å; Y95-L144 WeakPolarHBondContact O-CD2 3.37Å
145E80.6Confident80.6Confident60 Ų6057 Ų5728%0.2829%0.285SS..Hα-helixtrans-85.1-15.9174.357.1158.3-128.300112.8S111 R142 Y143 F148 N287 K296S111-E145 PolarHBondContact OG-O 3.29Å; R142-E145 HydrophobicContact CB-CG 3.97Å; R142-E145 WeakPolarHBondContact CB-OE1 3.46Å; R142-E145 WeakPolarHBondContact CD-OE1 3.25Å; R142-E145 WeakPolarHBondContact CD-OE2 3.35Å; R142-E145 WeakPolarHBondContact O-CG 3.15Å; Y143-E145 VanDerWaalsContact C-N 3.26Å; Y143-E145 PolarHBondContact O-N 3.48Å; E145-F148 WeakPolarHBondContact O-CZ 3.23Å; E145-N287 PolarHBondContact OE2-ND2 3.26Å; E145-K296 IonicContact OE1-NZ 2.82Å; E145-K296 PolarHBondContact OE1-NZ 3.15Å
146N88.3Confident79Confident0 Ų062.6 Ų62.60%031%0.314CS..Hα-helixtrans-117.5-22.2-174.1-72.1-79000115.1W110 S111 S112 R142 Y143W110-N146 HydrophobicContact CD2-CB 3.33Å; W110-N146 VanDerWaalsContact CE2-ND2 3.31Å; W110-N146 HydrophobicContact CE3-CB 3.6Å; W110-N146 HydrophobicContact CG-CB 3.86Å; W110-N146 HydrophobicContact CH2-CB 3.98Å; W110-N146 HydrophobicContact CZ2-CB 3.75Å; W110-N146 WeakPolarHBondContact CZ2-ND2 3.08Å; W110-N146 HydrophobicContact CZ3-CB 3.91Å; W110-N146 VanDerWaalsContact NE1-CG 3.33Å; W110-N146 PolarHBondContact NE1-OD1 3.08Å; S111-N146 WeakPolarHBondContact CB-O 3.33Å; S111-N146 PolarHBondContact N-O 3.06Å; S111-N146 WeakPolarHBondContact OG-CA 3.45Å; S111-N146 PolarHBondContact OG-OD1 3.19Å; S112-N146 WeakPolarHBondContact CB-OD1 3.16Å; S112-N146 PolarHBondContact N-OD1 2.91Å; S112-N146 PolarHBondContact OG-OD1 3.48Å; R142-N146 PolarHBondContact O-N 3.48Å; R142-N146 PolarHBondContact O-ND2 3.32Å; Y143-N146 PolarHBondContact O-N 2.74Å
147V92.2Very high77Confident2 Ų264.8 Ų64.81%0.01233%0.328CS..  trans-117.3103.1-173.7-177.20000109.5Y93 Y95 F105 T106 V109 W110 Y143Y93-V147 HydrophobicContact CD1-CG1 3.88Å; Y93-V147 HydrophobicContact CE1-CB 3.97Å; Y93-V147 HydrophobicContact CE1-CG1 3.33Å; Y93-V147 HydrophobicContact CE2-CG1 4.37Å; Y93-V147 WeakPolarHBondContact OH-CB 3.37Å; Y95-V147 HydrophobicContact CD1-CG1 4.44Å; Y95-V147 HydrophobicContact CE1-CG1 4.1Å; F105-V147 HydrophobicContact CE1-CG1 3.67Å; F105-V147 HydrophobicContact CZ-CG1 3.99Å; T106-V147 HydrophobicContact CG2-CG1 4.36Å; T106-V147 HydrophobicContact CG2-CG2 4.05Å; V109-V147 HydrophobicContact CG2-CB 4.43Å; V109-V147 HydrophobicContact CG2-CG1 3.79Å; V109-V147 HydrophobicContact CG2-CG2 4.35Å; W110-V147 HydrophobicContact CE3-CG2 3.84Å; W110-V147 HydrophobicContact CZ3-CG2 4.07Å; Y143-V147 HydrophobicContact CD1-CG2 4.37Å; Y143-V147 WeakPolarHBondContact O-CB 3.28Å; Y143-V147 PolarHBondContact O-N 2.66Å
148F89.8Confident74.6Confident27 Ų2773.7 Ų73.712%0.11837%0.366CS..PPolyproline II helixtrans-99.1155.1-176.7-53.3-62.6000112H22 V24 Y95 E145 R205H22-F148 PolarHBondContact ND1-O 3.39Å; V24-F148 HydrophobicContact CG1-CD2 3.53Å; V24-F148 HydrophobicContact CG1-CE2 3.79Å; Y95-F148 VanDerWaalsContact CE1-O 3.29Å; Y95-F148 WeakPolarHBondContact CE1-O 3.38Å; E145-F148 WeakPolarHBondContact O-CZ 3.23Å; F148-R205 HydrophobicContact CD1-CB 4.25Å; F148-R205 HydrophobicContact CE1-CB 3.39Å; F148-R205 HydrophobicContact CE2-CB 4.31Å; F148-R205 HydrophobicContact CZ-CB 3.44Å; F148-R205 VanDerWaalsContact CZ-CB 3.44Å
149R90.4Very high72Confident134 Ų13478.4 Ų78.451%0.50639%0.387SS..PPolyproline II helixtrans-64.7144.7171.3-69.3179.4176.9-786.7110Y95 E96Y95-R149 VanDerWaalsContact CB-CZ 3.49Å; Y95-R149 HydrophobicContact CD1-CB 4.38Å; Y95-R149 HydrophobicContact CD1-CG 3.6Å; Y95-R149 HydrophobicContact CD2-CG 4Å; Y95-R149 HydrophobicContact CE1-CG 4.2Å; Y95-R149 HydrophobicContact CG-CG 3.51Å; E96-R149 IonicContact OE1-CZ 2.73Å; E96-R149 IonicContact OE1-NE 3.61Å; E96-R149 PolarHBondContact OE1-NE 2.88Å; E96-R149 IonicContact OE1-NH2 3.51Å; E96-R149 PolarHBondContact OE1-NH2 3.48Å
150P88.4Confident69.5Low62 Ų6282.1 Ų82.140%0.40341%0.412SS..PPolyproline II helixtrans-63.9147.6174.627.7-33.3000110.9L21 K152L21-P150 CarbonylContact O-C 3.48Å; L21-P150 VanDerWaalsContact O-CA 3.3Å; L21-P150 WeakPolarHBondContact O-CA 3.3Å; P150-K152 PolarHBondContact O-N 3.26Å
151K79.8Confident67.4Low90 Ų9089.7 Ų89.739%0.39145%0.45SS..PPolyproline II helixtrans-65.3131175.4-65179.4-179177.90109.5L21 S153L21-K151 PolarHBondContact O-N 3.19Å; K151-S153 PolarHBondContact O-N 3.16Å
152K68.1Low65.3Low220 Ų22097 Ų9796%0.95746%0.464SS*.SBendtrans-66.6-20.3-176.9-68.6-174.2178.6-178.10113.8P150P150-K152 PolarHBondContact O-N 3.26Å
153S53.7Low63.3Low48 Ų4899.8 Ų99.834%0.33648%0.483SS..  trans-130.5113.4-173.233.10000111.8K151 K155 D156K151-S153 PolarHBondContact O-N 3.16Å; S153-K155 PolarHBondContact O-N 2.83Å; S153-D156 PolarHBondContact O-N 3.05Å; S153-D156 PolarHBondContact OG-OD2 3.28Å
154V48.5Very low60.9Low119 Ų119101.6 Ų101.672%0.72150%0.498SS*.G310 helixtrans-59.3-23.9168.1-178.30000111.3D156 V157V154-D156 PolarHBondContact O-N 2.72Å; V154-D156 VanDerWaalsContact O-N 3.16Å; V154-V157 PolarHBondContact O-N 2.86Å
155K47.3Very low58.7Low184 Ų184101 Ų10180%0.849%0.492SS*.G310 helixtrans-61.8-20.4178.7-68.8-171.2178.8-1790114.5S153 V157S153-K155 PolarHBondContact O-N 2.83Å; K155-V157 VanDerWaalsContact C-N 3.33Å
156D49.3Very low56.7Low117 Ų117100.8 Ų100.863%0.62650%0.501SS*.G310 helixtrans-87.6-1.9177.3-63.9-44.8000113.3S153 V154 K158S153-D156 PolarHBondContact O-N 3.05Å; S153-D156 PolarHBondContact OG-OD2 3.28Å; V154-D156 PolarHBondContact O-N 2.72Å; V154-D156 VanDerWaalsContact O-N 3.16Å; D156-K158 PolarHBondContact O-N 3.06Å
157V45Very low54.7Low49 Ų49102.3 Ų102.330%0.29751%0.509SS..  trans-9764.8173.9-166.40000108.7L20 V154 K155 Q159L20-V157 HydrophobicContact CD1-CG1 4.2Å; L20-V157 HydrophobicContact CD2-CG1 3.87Å; L20-V157 HydrophobicContact CG-CG1 4.16Å; V154-V157 PolarHBondContact O-N 2.86Å; K155-V157 VanDerWaalsContact C-N 3.33Å; V157-Q159 VanDerWaalsContact C-N 3.27Å; V157-Q159 PolarHBondContact O-N 3.26Å
158K40Very low52.7Low191 Ų191108.3 Ų108.383%0.8354%0.541SS*.  trans-82.24.2178.3-82.1-168.9179.7-178.50114.7D156D156-K158 PolarHBondContact O-N 3.06Å
159Q39.1Very low51Low118 Ų118113.6 Ų113.655%0.55157%0.571SS**SBendtrans-96.7134.6-179.5-69.9-168.2-1.400111.3V157V157-Q159 VanDerWaalsContact C-N 3.27Å; V157-Q159 PolarHBondContact O-N 3.26Å
160P34.4Very low49.7Very low99 Ų99114.6 Ų114.664%0.64359%0.586SS**  trans-57.9158.1174.625.9-33000109.9R162P160-R162 PolarHBondContact O-N 3.43Å
161I40.5Very low48.5Very low166 Ų166113.1 Ų113.185%0.85158%0.576SS**SBendtrans-56.579.3171.4-51.4166.8000108.6
162R36.1Very low47.9Very low197 Ų197114.3 Ų114.374%0.74359%0.593SS**  trans-110.6126.4161.4-79.7-173.9173.4178.9-1.2104.4P160 T164P160-R162 PolarHBondContact O-N 3.43Å; R162-T164 PolarHBondContact O-N 3.17Å
163N41.8Very low48.2Very low116 Ų116107.3 Ų107.362%0.6256%0.562SS**SBendtrans-60.310.6-179.4-84.3-10.6000114.8
164T40.4Very low49Very low68 Ų68107.1 Ų107.142%0.41756%0.559SS.*SBendtrans-113.7111.517440.60000107.6R162 A166 V211R162-T164 PolarHBondContact O-N 3.17Å; T164-A166 VanDerWaalsContact C-N 3.25Å; T164-A166 PolarHBondContact O-N 2.99Å; T164-V211 HydrophobicContact CG2-CG2 4.27Å
165F38.8Very low50.4Low53 Ų53104.4 Ų104.423%0.23254%0.543CS..  trans-55.699.5158.2-102.2-108.8000106.2L20 G23 V24 L167 N209L20-F165 HydrophobicContact CD1-CE2 3.85Å; L20-F165 HydrophobicContact CD1-CZ 3.83Å; G23-F165 VanDerWaalsContact C-CZ 3.45Å; V24-F165 WeakPolarHBondContact O-CE2 3.48Å; F165-L167 HydrophobicContact CB-CD1 4.42Å; F165-L167 PolarHBondContact O-N 3.2Å; F165-N209 PolarHBondContact O-ND2 3.38Å
166A39.3Very low51.4Low56 Ų5696.5 Ų96.546%0.46351%0.509SS..  trans-71.885.417300000106.6T164T164-A166 VanDerWaalsContact C-N 3.25Å; T164-A166 PolarHBondContact O-N 2.99Å
167L46.6Very low52.6Low33 Ų3394.9 Ų94.917%0.17350%0.503CS..  trans-58.2143.1166.1-94.7106.1000108.3F165 N169 T171 S195 L197 N209F165-L167 HydrophobicContact CB-CD1 4.42Å; F165-L167 PolarHBondContact O-N 3.2Å; L167-N169 PolarHBondContact O-N 3.4Å; L167-T171 HydrophobicContact CD2-CG2 4.42Å; L167-S195 VanDerWaalsContact CD2-OG 3.26Å; L167-S195 WeakPolarHBondContact CD2-OG 3.39Å; L167-L197 HydrophobicContact CD2-CD1 4.15Å; L167-L197 HydrophobicContact CD2-CD2 3.87Å; L167-L197 HydrophobicContact CD2-CG 4.28Å; L167-N209 WeakPolarHBondContact CD1-ND2 3.35Å
168N49.5Very low53.7Low127 Ų12794.4 Ų94.468%0.67950%0.498SS*.  trans-50.5126.3169.7-79.3-12.7000109D170 T171N168-D170 PolarHBondContact O-N 3.28Å; N168-T171 PolarHBondContact O-N 3.1Å; N168-T171 VanDerWaalsContact O-N 3.08Å; N168-T171 PolarHBondContact O-OG1 3.41Å
169N54.2Low55.1Low139 Ų13989.7 Ų89.774%0.74349%0.485SS*.THydrogen-bonded Turntrans-56-20.7-176.8-83.6-19.9000113.5L167L167-N169 PolarHBondContact O-N 3.4Å
170D62.6Low56.5Low154 Ų15485 Ų8582%0.82446%0.464SS*.THydrogen-bonded Turntrans-83-7.5-177.4-54.8-39.3000114.1N168 P172N168-D170 PolarHBondContact O-N 3.28Å; D170-P172 WeakPolarHBondContact O-CD 3.06Å
171T63Low58.1Low32 Ų3284.3 Ų84.320%0.19646%0.458CS..SBendtrans-73.7125.5178.7-45.90000109.6L167 N168 K173 L197L167-T171 HydrophobicContact CD2-CG2 4.42Å; N168-T171 PolarHBondContact O-N 3.1Å; N168-T171 VanDerWaalsContact O-N 3.08Å; N168-T171 PolarHBondContact O-OG1 3.41Å; T171-K173 PolarHBondContact O-N 3.1Å; T171-L197 HydrophobicContact CG2-CD2 3.79Å
172P68.8Low59.3Low114 Ų11478.2 Ų78.274%0.7443%0.426SS*.  trans-53.2128.7173.8-25.634.2000110.8D170D170-P172 WeakPolarHBondContact O-CD 3.06Å
173K73.3Confident60.4Low74 Ų7473.9 Ų73.932%0.32243%0.426SS..EExtended strand (participates in β ladder)trans-139.8138.6-177.656.6-178.3168.9-176.30111.8T171 V175 E193 I194T171-K173 PolarHBondContact O-N 3.1Å; K173-V175 HydrophobicContact CD-CG2 4.39Å; K173-V175 HydrophobicContact CG-CG2 4.25Å; K173-E193 HydrophobicContact CD-CB 4.18Å; K173-E193 HydrophobicContact CD-CG 4.3Å; K173-E193 IonicContact NZ-OE1 2.84Å; K173-E193 PolarHBondContact NZ-OE1 2.85Å; K173-E193 IonicContact NZ-OE2 2.94Å; K173-E193 PolarHBondContact NZ-OE2 3.4Å; K173-I194 CarbonylContact C-O 3.55Å; K173-I194 WeakPolarHBondContact CA-O 3.32Å; K173-I194 WeakPolarHBondContact CB-O 3.13Å
174T71.4Confident61.5Low43 Ų4372.8 Ų72.826%0.26442%0.42SS..EExtended strand (participates in β ladder)trans-88.9122.4167.3-59.50000107.4I176 I194 H278T174-I176 HydrophobicContact CG2-CD1 3.95Å; T174-I176 HydrophobicContact CG2-CG1 3.93Å; T174-I194 PolarHBondContact N-O 2.79Å; T174-I194 PolarHBondContact O-N 3.07Å; T174-H278 PolarHBondContact OG1-CE1 2.94Å
175V76.3Confident62.7Low63 Ų6371.9 Ų71.938%0.38242%0.424SS..EExtended strand (participates in β ladder)trans-104.9126.8179.1-179.10000108.9K173 R191 R192 E193K173-V175 HydrophobicContact CD-CG2 4.39Å; K173-V175 HydrophobicContact CG-CG2 4.25Å; V175-R191 HydrophobicContact CG1-CG 3.91Å; V175-R192 CarbonylContact C-O 3.55Å; V175-R192 VanDerWaalsContact CA-O 3.3Å; V175-R192 WeakPolarHBondContact CA-O 3.31Å; V175-E193 HydrophobicContact CG2-CG 4.31Å
176I70.1Confident64.3Low17 Ų1774.8 Ų74.89%0.08744%0.436CS..EExtended strand (participates in β ladder)trans-130.7129.1-177.6-53.8-178.1000107.5T174 R192 I194 Y290T174-I176 HydrophobicContact CG2-CD1 3.95Å; T174-I176 HydrophobicContact CG2-CG1 3.93Å; I176-R192 PolarHBondContact N-O 3.47Å; I176-R192 PolarHBondContact O-N 3.04Å; I176-I194 HydrophobicContact CD1-CD1 3.79Å; I176-Y290 HydrophobicContact CD1-CD1 4.46Å; I176-Y290 HydrophobicContact CD1-CE1 3.35Å; I176-Y290 WeakPolarHBondContact CD1-OH 3.5Å; I176-Y290 HydrophobicContact CG2-CE1 4.3Å
177T74.2Confident66Low83 Ų8376.2 Ų76.251%0.50943%0.433SS..EExtended strand (participates in β ladder)trans-117.8129.5177.3-55.10000108.9S189 V190T177-S189 WeakPolarHBondContact CG2-OG 3.33Å; T177-V190 WeakPolarHBondContact CA-O 3.45Å
178E67.4Low67.4Low40 Ų4077.7 Ų77.719%0.18744%0.437CS..EExtended strand (participates in β ladder)trans-132.9163.6174.473.4-176.8-163.900111.2S189 V190 R192E178-S189 CarbonylContact O-C 3.56Å; E178-S189 WeakPolarHBondContact O-CA 3.12Å; E178-V190 HydrophobicContact CG-CB 4.2Å; E178-V190 PolarHBondContact N-O 3.28Å; E178-V190 PolarHBondContact O-N 3.19Å; E178-R192 IonicContact OE1-CZ 3.71Å; E178-R192 IonicContact OE1-NH1 3.65Å; E178-R192 PolarHBondContact OE1-NH1 3.08Å; E178-R192 IonicContact OE1-NH2 3.85Å; E178-R192 PolarHBondContact OE1-NH2 2.92Å; E178-R192 IonicContact OE2-CZ 2.72Å; E178-R192 IonicContact OE2-NH1 3.15Å; E178-R192 PolarHBondContact OE2-NH1 2.68Å
179T70Confident68.8Low91 Ų9172.1 Ų72.156%0.55841%0.408SS*.EExtended strand (participates in β ladder)trans-98.4124170.7-52.10000109.5Q187 Y188T179-Q187 HydrophobicContact CG2-CB 4.34Å; T179-Y188 CarbonylContact C-O 3.53Å; T179-Y188 WeakPolarHBondContact CA-O 3.5Å
180L68.4Low69.9Low20 Ų2065.5 Ų65.511%0.10537%0.372CS..EExtended strand (participates in β ladder)trans-112.9128.8177.3-174.4136.5000109.7E182 Q187 Y188 V190L180-E182 HydrophobicContact CD2-CG 3.88Å; L180-E182 WeakPolarHBondContact CD2-OE1 3.44Å; L180-Q187 CarbonylContact O-C 3.51Å; L180-Q187 WeakPolarHBondContact O-CA 3.47Å; L180-Y188 PolarHBondContact N-O 3.28Å; L180-Y188 PolarHBondContact O-N 2.95Å; L180-V190 HydrophobicContact CB-CG2 3.62Å
181T66.8Low70.7Confident84 Ų8462.3 Ų62.352%0.51535%0.349SS..EExtended strand (participates in β ladder)trans-102.5117.9172.5-48.60000108.8K186 Q187T181-K186 CarbonylContact C-O 3.55Å; T181-K186 WeakPolarHBondContact CA-O 3.27Å; T181-Q187 HydrophobicContact CG2-CG 4Å; T181-Q187 WeakPolarHBondContact OG1-CG 3.41Å
182E66.3Low71.4Confident39 Ų3960.9 Ų60.918%0.18234%0.34CS..  trans-73.5166.9174.5-73.9-68.5172.500111.3R28 L180 D184 G185 K186 Y188R28-E182 IonicContact CZ-OE1 3.18Å; R28-E182 IonicContact NH1-OE1 2.86Å; R28-E182 IonicContact NH2-OE1 3.9Å; R28-E182 PolarHBondContact NH2-OE1 2.96Å; L180-E182 HydrophobicContact CD2-CG 3.88Å; L180-E182 WeakPolarHBondContact CD2-OE1 3.44Å; E182-D184 WeakPolarHBondContact CB-OD1 3.49Å; E182-D184 PolarHBondContact O-N 3.09Å; E182-D184 VanDerWaalsContact O-N 3.16Å; E182-G185 WeakPolarHBondContact O-CA 3.09Å; E182-G185 PolarHBondContact O-N 3.28Å; E182-K186 PolarHBondContact N-O 2.96Å; E182-Y188 HydrophobicContact CB-CE2 4.37Å; E182-Y188 HydrophobicContact CG-CD2 3.89Å; E182-Y188 HydrophobicContact CG-CE2 3.67Å
183S59.5Low71.7Confident106 Ų10656.9 Ų56.974%0.74131%0.311SS*.THydrogen-bonded Turntrans-62.3-22.4-178.6540000114.3G185S183-G185 PolarHBondContact O-N 2.95Å
184D64.2Low71.8Confident93 Ų9353.7 Ų53.750%0.49730%0.298SS..THydrogen-bonded Turntrans-82.32174.470.9-8.8000113E182 K186E182-D184 WeakPolarHBondContact CB-OD1 3.49Å; E182-D184 PolarHBondContact O-N 3.09Å; E182-D184 VanDerWaalsContact O-N 3.16Å; D184-K186 VanDerWaalsContact C-N 3.31Å; D184-K186 VanDerWaalsContact OD1-CB 3.29Å; D184-K186 WeakPolarHBondContact OD1-CB 3.28Å; D184-K186 WeakPolarHBondContact OD1-CG 3.45Å; D184-K186 PolarHBondContact OD1-N 3.19Å; D184-K186 VanDerWaalsContact OD2-CD 3.31Å; D184-K186 WeakPolarHBondContact OD2-CD 3.33Å; D184-K186 VanDerWaalsContact OD2-CE 3.31Å; D184-K186 WeakPolarHBondContact OD2-CE 3.44Å; D184-K186 IonicContact OD2-NZ 2.67Å; D184-K186 PolarHBondContact OD2-NZ 3.1Å
185G65.7Low71.9Confident48 Ų4851.9 Ų51.950%0.49529%0.287SS..SBendtrans83.7-3.2-178.900000114.5E182 S183E182-G185 WeakPolarHBondContact O-CA 3.09Å; E182-G185 PolarHBondContact O-N 3.28Å; S183-G185 PolarHBondContact O-N 2.95Å
186K73.7Confident71.6Confident115 Ų11551.6 Ų51.650%0.528%0.283SS..  trans-68.5137.4176-69.8-177.1-169126.50110.6T181 E182 D184 Y188T181-K186 CarbonylContact C-O 3.55Å; T181-K186 WeakPolarHBondContact CA-O 3.27Å; E182-K186 PolarHBondContact N-O 2.96Å; D184-K186 VanDerWaalsContact C-N 3.31Å; D184-K186 VanDerWaalsContact OD1-CB 3.29Å; D184-K186 WeakPolarHBondContact OD1-CB 3.28Å; D184-K186 WeakPolarHBondContact OD1-CG 3.45Å; D184-K186 PolarHBondContact OD1-N 3.19Å; D184-K186 VanDerWaalsContact OD2-CD 3.31Å; D184-K186 WeakPolarHBondContact OD2-CD 3.33Å; D184-K186 VanDerWaalsContact OD2-CE 3.31Å; D184-K186 WeakPolarHBondContact OD2-CE 3.44Å; D184-K186 IonicContact OD2-NZ 2.67Å; D184-K186 PolarHBondContact OD2-NZ 3.1Å; K186-Y188 HydrophobicContact CB-CE2 3.72Å
187Q74.1Confident71.6Confident86 Ų8652.8 Ų52.840%0.40229%0.289SS..EExtended strand (participates in β ladder)trans-105.1134.4178.9-70.4-178.256.700110.9T179 L180 T181 A215T179-Q187 HydrophobicContact CG2-CB 4.34Å; L180-Q187 CarbonylContact O-C 3.51Å; L180-Q187 WeakPolarHBondContact O-CA 3.47Å; T181-Q187 HydrophobicContact CG2-CG 4Å; T181-Q187 WeakPolarHBondContact OG1-CG 3.41Å; Q187-A215 HydrophobicContact CB-CB 3.82Å; Q187-A215 WeakPolarHBondContact O-CB 3.16Å; Q187-A215 PolarHBondContact O-N 2.86Å
188Y75.8Confident71.4Confident64 Ų6452.9 Ų52.925%0.25129%0.29SS..EExtended strand (participates in β ladder)trans-123.5137.1177.7-63.1-88.7000109.7T179 L180 E182 K186 Y212 T213T179-Y188 CarbonylContact C-O 3.53Å; T179-Y188 WeakPolarHBondContact CA-O 3.5Å; L180-Y188 PolarHBondContact N-O 3.28Å; L180-Y188 PolarHBondContact O-N 2.95Å; E182-Y188 HydrophobicContact CB-CE2 4.37Å; E182-Y188 HydrophobicContact CG-CD2 3.89Å; E182-Y188 HydrophobicContact CG-CE2 3.67Å; K186-Y188 HydrophobicContact CB-CE2 3.72Å; Y188-Y212 HydrophobicContact CG-CD1 4.25Å; Y188-T213 CarbonylContact C-O 3.54Å; Y188-T213 VanDerWaalsContact CA-O 3.28Å; Y188-T213 WeakPolarHBondContact CA-O 3.25Å
189S78.4Confident71.3Confident9 Ų953.9 Ų53.96%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-82116.7161.2-179.50000107T177 E178 T213 E218T177-S189 WeakPolarHBondContact CG2-OG 3.33Å; E178-S189 CarbonylContact O-C 3.56Å; E178-S189 WeakPolarHBondContact O-CA 3.12Å; S189-T213 WeakPolarHBondContact CB-OG1 3.26Å; S189-T213 PolarHBondContact N-O 2.81Å; S189-T213 PolarHBondContact O-N 3.15Å; S189-T213 PolarHBondContact O-OG1 2.92Å; S189-E218 WeakPolarHBondContact CB-OE2 3.37Å; S189-E218 PolarHBondContact OG-OE2 2.8Å
190V78.1Confident71.3Confident0 Ų058.1 Ų58.10%032%0.316CS..EExtended strand (participates in β ladder)trans-107.2106.2-175.7-1700000107.9T177 E178 L180 R192 E210 Y212T177-V190 WeakPolarHBondContact CA-O 3.45Å; E178-V190 HydrophobicContact CG-CB 4.2Å; E178-V190 PolarHBondContact N-O 3.28Å; E178-V190 PolarHBondContact O-N 3.19Å; L180-V190 HydrophobicContact CB-CG2 3.62Å; V190-R192 HydrophobicContact CG1-CG 4.24Å; V190-E210 HydrophobicContact CG1-CB 4.37Å; V190-Y212 HydrophobicContact CB-CD1 4.35Å; V190-Y212 HydrophobicContact CB-CE1 4.06Å; V190-Y212 HydrophobicContact CG1-CD1 4.18Å; V190-Y212 HydrophobicContact CG1-CD2 4.36Å; V190-Y212 HydrophobicContact CG1-CE1 3.67Å; V190-Y212 HydrophobicContact CG1-CE2 3.9Å; V190-Y212 HydrophobicContact CG1-CG 4.47Å; V190-Y212 VanDerWaalsContact CG1-CZ 3.48Å; V190-Y212 HydrophobicContact CG2-CD1 3.5Å; V190-Y212 VanDerWaalsContact CG2-CD1 3.5Å; V190-Y212 HydrophobicContact CG2-CE1 3.23Å; V190-Y212 HydrophobicContact CG2-CG 4.39Å
191R80Confident71.3Confident88 Ų8866.1 Ų66.133%0.33235%0.35SS..EExtended strand (participates in β ladder)trans-91.6114.2174.3-176172177.6-80.6-5.6109.5V175 E193 E210 V211V175-R191 HydrophobicContact CG1-CG 3.91Å; R191-E193 IonicContact CZ-OE1 3.25Å; R191-E193 VanDerWaalsContact NH1-CD 3.26Å; R191-E193 IonicContact NH1-OE1 2.91Å; R191-E193 PolarHBondContact NH1-OE1 3.03Å; R191-E193 IonicContact NH2-OE1 2.9Å; R191-E193 PolarHBondContact NH2-OE1 2.84Å; R191-E210 WeakPolarHBondContact O-CA 3.41Å; R191-V211 PolarHBondContact N-O 2.68Å; R191-V211 PolarHBondContact O-N 3.25Å
192R76.1Confident71.2Confident2 Ų264.7 Ų64.71%0.00835%0.351CS..EExtended strand (participates in β ladder)trans-100.6127.4175.2-55.2-157.5177.279.46110.7V175 I176 E178 V190 I208 N209 E210V175-R192 CarbonylContact C-O 3.55Å; V175-R192 VanDerWaalsContact CA-O 3.3Å; V175-R192 WeakPolarHBondContact CA-O 3.31Å; I176-R192 PolarHBondContact N-O 3.47Å; I176-R192 PolarHBondContact O-N 3.04Å; E178-R192 IonicContact OE1-CZ 3.71Å; E178-R192 IonicContact OE1-NH1 3.65Å; E178-R192 PolarHBondContact OE1-NH1 3.08Å; E178-R192 IonicContact OE1-NH2 3.85Å; E178-R192 PolarHBondContact OE1-NH2 2.92Å; E178-R192 IonicContact OE2-CZ 2.72Å; E178-R192 IonicContact OE2-NH1 3.15Å; E178-R192 PolarHBondContact OE2-NH1 2.68Å; V190-R192 HydrophobicContact CG1-CG 4.24Å; R192-I208 HydrophobicContact CB-CG2 4.34Å; R192-N209 CarbonylContact C-O 3.58Å; R192-N209 VanDerWaalsContact CA-O 3.27Å; R192-N209 WeakPolarHBondContact CA-O 3.4Å; R192-E210 VanDerWaalsContact CD-OE1 3.3Å; R192-E210 WeakPolarHBondContact CD-OE1 3.11Å; R192-E210 HydrophobicContact CG-CG 3.98Å; R192-E210 IonicContact CZ-OE1 3.67Å; R192-E210 IonicContact NE-OE1 2.7Å; R192-E210 PolarHBondContact NE-OE1 3.07Å; R192-E210 IonicContact NH2-OE1 3.53Å
193E76.5Confident71.2Confident30 Ų3066.9 Ų66.914%0.1436%0.36CS..EExtended strand (participates in β ladder)trans-105.8109.6167.3-55.7-164.8146.800108.7K173 V175 R191 I208 N209K173-E193 HydrophobicContact CD-CB 4.18Å; K173-E193 HydrophobicContact CD-CG 4.3Å; K173-E193 IonicContact NZ-OE1 2.84Å; K173-E193 PolarHBondContact NZ-OE1 2.85Å; K173-E193 IonicContact NZ-OE2 2.94Å; K173-E193 PolarHBondContact NZ-OE2 3.4Å; V175-E193 HydrophobicContact CG2-CG 4.31Å; R191-E193 IonicContact CZ-OE1 3.25Å; R191-E193 VanDerWaalsContact NH1-CD 3.26Å; R191-E193 IonicContact NH1-OE1 2.91Å; R191-E193 PolarHBondContact NH1-OE1 3.03Å; R191-E193 IonicContact NH2-OE1 2.9Å; R191-E193 PolarHBondContact NH2-OE1 2.84Å; E193-I208 WeakPolarHBondContact O-CA 3.38Å; E193-N209 HydrophobicContact CB-CB 4.29Å; E193-N209 PolarHBondContact N-O 3.25Å; E193-N209 PolarHBondContact O-N 3.4Å
194I75.2Confident71.5Confident7 Ų764.9 Ų64.94%0.03634%0.344CS..EExtended strand (participates in β ladder)trans-97.5123.3178.2-53.6171.8000107.4K173 T174 I176 R206 I208K173-I194 CarbonylContact C-O 3.55Å; K173-I194 WeakPolarHBondContact CA-O 3.32Å; K173-I194 WeakPolarHBondContact CB-O 3.13Å; T174-I194 PolarHBondContact N-O 2.79Å; T174-I194 PolarHBondContact O-N 3.07Å; I176-I194 HydrophobicContact CD1-CD1 3.79Å; I194-R206 HydrophobicContact CG2-CG 3.92Å; I194-I208 HydrophobicContact CG1-CD1 4.33Å; I194-I208 HydrophobicContact CG1-CG1 4.12Å; I194-I208 HydrophobicContact CG1-CG2 4.36Å; I194-I208 HydrophobicContact CG2-CG1 4.23Å
195S72.5Confident71.7Confident5 Ų565.1 Ų65.14%0.03534%0.338CS..EExtended strand (participates in β ladder)trans-132.7139178.353.60000110.1L167 R206 C207L167-S195 VanDerWaalsContact CD2-OG 3.26Å; L167-S195 WeakPolarHBondContact CD2-OG 3.39Å; S195-R206 WeakPolarHBondContact O-CA 3.49Å; S195-C207 PolarHBondContact N-O 3.33Å; S195-C207 PolarHBondContact O-N 3.06Å; S195-C207 PolarHBondContact OG-O 3.13Å
196D71.3Confident71.8Confident57 Ų5764.7 Ų64.731%0.30532%0.321SS..EExtended strand (participates in β ladder)trans-100.5116.4171.4-74.8-32.4000108.5T204 R206D196-T204 HydrophobicContact CB-CG2 3.67Å; D196-R206 WeakPolarHBondContact OD1-CB 3.27Å; D196-R206 WeakPolarHBondContact OD1-CG 3.42Å; D196-R206 IonicContact OD1-CZ 2.85Å; D196-R206 IonicContact OD1-NE 3.57Å; D196-R206 PolarHBondContact OD1-NE 2.89Å; D196-R206 IonicContact OD1-NH2 2.97Å; D196-R206 PolarHBondContact OD1-NH2 3.19Å; D196-R206 IonicContact OD2-CZ 2.65Å; D196-R206 IonicContact OD2-NE 3.9Å; D196-R206 IonicContact OD2-NH2 2.78Å; D196-R206 PolarHBondContact OD2-NH2 2.86Å
197L69.5Low71.5Confident41 Ų4159.9 Ų59.922%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-104.6115.8177.2-61.6170.3000107.8L167 T171 T204 R205 C207L167-L197 HydrophobicContact CD2-CD1 4.15Å; L167-L197 HydrophobicContact CD2-CD2 3.87Å; L167-L197 HydrophobicContact CD2-CG 4.28Å; T171-L197 HydrophobicContact CG2-CD2 3.79Å; L197-T204 CarbonylContact O-C 3.59Å; L197-T204 WeakPolarHBondContact O-CA 3.46Å; L197-R205 HydrophobicContact CB-CG 3.68Å; L197-R205 HydrophobicContact CD1-CG 4.45Å; L197-R205 PolarHBondContact N-O 3.29Å; L197-R205 VanDerWaalsContact O-CG 3.29Å; L197-R205 WeakPolarHBondContact O-CG 3.48Å; L197-R205 PolarHBondContact O-N 3.24Å; L197-C207 HydrophobicContact CD1-CB 4.41Å
198T69.7Low71.4Confident85 Ų8556.1 Ų56.152%0.52129%0.285SS..EExtended strand (participates in β ladder)trans-93.2129.5172.9-55.70000109.1T204T198-T204 PolarHBondContact OG1-OG1 2.9Å
199D66Low71.1Confident62 Ų6253.7 Ų53.733%0.33228%0.276SS..  trans-79.8172.3173.472.913.3000112.1K201 G202 K203D199-K201 PolarHBondContact O-N 3.15Å; D199-K201 WeakPolarHBondContact OD1-CA 3.17Å; D199-K201 WeakPolarHBondContact OD1-CB 3.38Å; D199-K201 PolarHBondContact OD1-N 3.09Å; D199-G202 PolarHBondContact O-N 2.95Å; D199-G202 PolarHBondContact OD1-N 3.13Å; D199-K203 PolarHBondContact N-O 2.55Å; D199-K203 WeakPolarHBondContact OD1-CB 3.48Å; D199-K203 PolarHBondContact OD1-N 3.31Å
200D69.1Low70.9Confident179 Ų17954.9 Ų54.996%0.95728%0.28SS*.THydrogen-bonded Turntrans-60.7-15.1-179.3-52.3-19000113.4
201K68.5Low70.9Confident189 Ų18957.6 Ų57.682%0.82230%0.297SS*.THydrogen-bonded Turntrans-94.24.3176.5-60.8-173.5176.8-172.10112.6D199 K203D199-K201 PolarHBondContact O-N 3.15Å; D199-K201 WeakPolarHBondContact OD1-CA 3.17Å; D199-K201 WeakPolarHBondContact OD1-CB 3.38Å; D199-K201 PolarHBondContact OD1-N 3.09Å; K201-K203 VanDerWaalsContact C-N 3.29Å
202G65.8Low70.5Confident53 Ų5356.3 Ų56.355%0.54629%0.292SS..SBendtrans78.69.5-177.200000113.9D199 T204D199-G202 PolarHBondContact O-N 2.95Å; D199-G202 PolarHBondContact OD1-N 3.13Å; G202-T204 PolarHBondContact O-N 3.01Å
203K65.5Low70.7Confident85 Ų8558.5 Ų58.537%0.3731%0.306SS..  trans-84.7115.4177.3-169.3175.2-179.1174.90109.3D199 K201D199-K203 PolarHBondContact N-O 2.55Å; D199-K203 WeakPolarHBondContact OD1-CB 3.48Å; D199-K203 PolarHBondContact OD1-N 3.31Å; K201-K203 VanDerWaalsContact C-N 3.29Å
204T65.6Low70.6Confident64 Ų6460.3 Ų60.339%0.39332%0.317SS..EExtended strand (participates in β ladder)trans-83.3126.4176.9-52.60000110.8D196 L197 T198 G202D196-T204 HydrophobicContact CB-CG2 3.67Å; L197-T204 CarbonylContact O-C 3.59Å; L197-T204 WeakPolarHBondContact O-CA 3.46Å; T198-T204 PolarHBondContact OG1-OG1 2.9Å; G202-T204 PolarHBondContact O-N 3.01Å
205R67.9Low70.2Confident98 Ų9860.5 Ų60.537%0.3732%0.319SS..EExtended strand (participates in β ladder)trans-110.3126.4169.963.3-175.5173.5-167.8-7.1109F148 L197F148-R205 HydrophobicContact CD1-CB 4.25Å; F148-R205 HydrophobicContact CE1-CB 3.39Å; F148-R205 HydrophobicContact CE2-CB 4.31Å; F148-R205 HydrophobicContact CZ-CB 3.44Å; F148-R205 VanDerWaalsContact CZ-CB 3.44Å; L197-R205 HydrophobicContact CB-CG 3.68Å; L197-R205 HydrophobicContact CD1-CG 4.45Å; L197-R205 PolarHBondContact N-O 3.29Å; L197-R205 VanDerWaalsContact O-CG 3.29Å; L197-R205 WeakPolarHBondContact O-CG 3.48Å; L197-R205 PolarHBondContact O-N 3.24Å
206R68.8Low69.6Low39 Ų3965 Ų6515%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-87.4125.7173.9-173.7161-71.8-168.7-2.7109.7I194 S195 D196 I208 S286 N287I194-R206 HydrophobicContact CG2-CG 3.92Å; S195-R206 WeakPolarHBondContact O-CA 3.49Å; D196-R206 WeakPolarHBondContact OD1-CB 3.27Å; D196-R206 WeakPolarHBondContact OD1-CG 3.42Å; D196-R206 IonicContact OD1-CZ 2.85Å; D196-R206 IonicContact OD1-NE 3.57Å; D196-R206 PolarHBondContact OD1-NE 2.89Å; D196-R206 IonicContact OD1-NH2 2.97Å; D196-R206 PolarHBondContact OD1-NH2 3.19Å; D196-R206 IonicContact OD2-CZ 2.65Å; D196-R206 IonicContact OD2-NE 3.9Å; D196-R206 IonicContact OD2-NH2 2.78Å; D196-R206 PolarHBondContact OD2-NH2 2.86Å; R206-I208 HydrophobicContact CG-CG1 4.36Å; R206-S286 PolarHBondContact NH2-OG 2.75Å; R206-N287 PolarHBondContact NH1-O 2.75Å
207C68.2Low68.8Low15 Ų1570.5 Ų70.510%0.10137%0.371CS..EExtended strand (participates in β ladder)trans-113.6133.9175.5-172.10000109.2C25 S195 L197C25-C207 PolarHBondContact SG-SG 3.14Å; S195-C207 PolarHBondContact N-O 3.33Å; S195-C207 PolarHBondContact O-N 3.06Å; S195-C207 PolarHBondContact OG-O 3.13Å; L197-C207 HydrophobicContact CD1-CB 4.41Å
208I70.9Confident67.9Low7 Ų773.2 Ų73.24%0.03638%0.383CS..EExtended strand (participates in β ladder)trans-124.2111.1178.7-57.5-178.3000107.6C25 R114 R192 E193 I194 R206 E210 G289C25-I208 PolarHBondContact SG-O 2.83Å; R114-I208 VanDerWaalsContact NH2-CB 3.29Å; R114-I208 VanDerWaalsContact NH2-CD1 3.25Å; R192-I208 HydrophobicContact CB-CG2 4.34Å; E193-I208 WeakPolarHBondContact O-CA 3.38Å; I194-I208 HydrophobicContact CG1-CD1 4.33Å; I194-I208 HydrophobicContact CG1-CG1 4.12Å; I194-I208 HydrophobicContact CG1-CG2 4.36Å; I194-I208 HydrophobicContact CG2-CG1 4.23Å; R206-I208 HydrophobicContact CG-CG1 4.36Å; I208-E210 HydrophobicContact CG2-CG 4.17Å; I208-G289 WeakPolarHBondContact CD1-O 3.19Å
209N70.7Confident66.7Low13 Ų1377 Ų777%0.0739%0.394CS..EExtended strand (participates in β ladder)trans-93.6133.2171.6-76.8-26.6000109.3C25 F165 L167 R192 E193C25-N209 PolarHBondContact SG-OD1 2.92Å; F165-N209 PolarHBondContact O-ND2 3.38Å; L167-N209 WeakPolarHBondContact CD1-ND2 3.35Å; R192-N209 CarbonylContact C-O 3.58Å; R192-N209 VanDerWaalsContact CA-O 3.27Å; R192-N209 WeakPolarHBondContact CA-O 3.4Å; E193-N209 HydrophobicContact CB-CB 4.29Å; E193-N209 PolarHBondContact N-O 3.25Å; E193-N209 PolarHBondContact O-N 3.4Å
210E73.8Confident65.4Low33 Ų3383.5 Ų83.515%0.15442%0.42CS..EExtended strand (participates in β ladder)trans-119.3130.8177.4-54.7-169.7163.700110.4R114 V190 R191 R192 I208 Y212R114-E210 WeakPolarHBondContact CD-OE1 3.3Å; R114-E210 WeakPolarHBondContact CD-OE2 3.29Å; R114-E210 WeakPolarHBondContact CG-OE1 3.3Å; R114-E210 IonicContact NE-OE1 3.92Å; R114-E210 PolarHBondContact NE-OE1 3.43Å; V190-E210 HydrophobicContact CG1-CB 4.37Å; R191-E210 WeakPolarHBondContact O-CA 3.41Å; R192-E210 VanDerWaalsContact CD-OE1 3.3Å; R192-E210 WeakPolarHBondContact CD-OE1 3.11Å; R192-E210 HydrophobicContact CG-CG 3.98Å; R192-E210 IonicContact CZ-OE1 3.67Å; R192-E210 IonicContact NE-OE1 2.7Å; R192-E210 PolarHBondContact NE-OE1 3.07Å; R192-E210 IonicContact NH2-OE1 3.53Å; I208-E210 HydrophobicContact CG2-CG 4.17Å; E210-Y212 HydrophobicContact CB-CD2 4.34Å; E210-Y212 HydrophobicContact CB-CE2 3.68Å; E210-Y212 WeakPolarHBondContact OE2-CE2 3.25Å; E210-Y212 PolarHBondContact OE2-OH 3.35Å
211V77Confident63.8Low57 Ų5784.5 Ų84.535%0.34542%0.416SS..EExtended strand (participates in β ladder)trans-117.8121.1172.9-178.80000107.8T164 R191T164-V211 HydrophobicContact CG2-CG2 4.27Å; R191-V211 PolarHBondContact N-O 2.68Å; R191-V211 PolarHBondContact O-N 3.25Å
212Y72.6Confident62.1Low61 Ų6180.3 Ų80.324%0.23942%0.416CS..EExtended strand (participates in β ladder)trans-98.9122.8178.8-70.5-103.1000109.2R28 Y188 V190 E210R28-Y212 PolarHBondContact NH1-OH 2.99Å; Y188-Y212 HydrophobicContact CG-CD1 4.25Å; V190-Y212 HydrophobicContact CB-CD1 4.35Å; V190-Y212 HydrophobicContact CB-CE1 4.06Å; V190-Y212 HydrophobicContact CG1-CD1 4.18Å; V190-Y212 HydrophobicContact CG1-CD2 4.36Å; V190-Y212 HydrophobicContact CG1-CE1 3.67Å; V190-Y212 HydrophobicContact CG1-CE2 3.9Å; V190-Y212 HydrophobicContact CG1-CG 4.47Å; V190-Y212 VanDerWaalsContact CG1-CZ 3.48Å; V190-Y212 HydrophobicContact CG2-CD1 3.5Å; V190-Y212 VanDerWaalsContact CG2-CD1 3.5Å; V190-Y212 HydrophobicContact CG2-CE1 3.23Å; V190-Y212 HydrophobicContact CG2-CG 4.39Å; E210-Y212 HydrophobicContact CB-CD2 4.34Å; E210-Y212 HydrophobicContact CB-CE2 3.68Å; E210-Y212 WeakPolarHBondContact OE2-CE2 3.25Å; E210-Y212 PolarHBondContact OE2-OH 3.35Å
213T79.2Confident60.3Low48 Ų4887.9 Ų87.929%0.29443%0.434SS..EExtended strand (participates in β ladder)trans-116.6139.2170.948.90000109.3Y188 S189 A215 E218Y188-T213 CarbonylContact C-O 3.54Å; Y188-T213 VanDerWaalsContact CA-O 3.28Å; Y188-T213 WeakPolarHBondContact CA-O 3.25Å; S189-T213 WeakPolarHBondContact CB-OG1 3.26Å; S189-T213 PolarHBondContact N-O 2.81Å; S189-T213 PolarHBondContact O-N 3.15Å; S189-T213 PolarHBondContact O-OG1 2.92Å; T213-A215 PolarHBondContact O-N 3.2Å; T213-A215 VanDerWaalsContact O-N 3.15Å; T213-E218 PolarHBondContact OG1-OE1 2.76Å
214D75.1Confident58.4Low68 Ų6888.7 Ų88.736%0.36445%0.45SS..EExtended strand (participates in β ladder)trans-60.2117.6175.9178.9-11.2000109.7C216 K217D214-C216 PolarHBondContact O-N 3.43Å; D214-C216 WeakPolarHBondContact OD1-CB 2.98Å; D214-C216 PolarHBondContact OD1-N 3.19Å; D214-K217 HydrophobicContact CB-CD 4.29Å; D214-K217 HydrophobicContact CB-CG 4.27Å; D214-K217 PolarHBondContact O-N 2.73Å
215A65.8Low56.5Low11 Ų1191.2 Ų91.29%0.09147%0.471CS..Hα-helixtrans-63.6-28.5-173.600000112Q187 T213 K217 E218 Q219Q187-A215 HydrophobicContact CB-CB 3.82Å; Q187-A215 WeakPolarHBondContact O-CB 3.16Å; Q187-A215 PolarHBondContact O-N 2.86Å; T213-A215 PolarHBondContact O-N 3.2Å; T213-A215 VanDerWaalsContact O-N 3.15Å; A215-K217 PolarHBondContact O-N 3.13Å; A215-E218 PolarHBondContact O-N 2.84Å; A215-E218 VanDerWaalsContact O-N 3.16Å; A215-Q219 PolarHBondContact O-N 3.2Å
216C60.8Low54.5Low101 Ų10193.4 Ų93.468%0.68249%0.488SS*.Hα-helixtrans-64-21.5176.8-69.50000112.3D214D214-C216 PolarHBondContact O-N 3.43Å; D214-C216 WeakPolarHBondContact OD1-CB 2.98Å; D214-C216 PolarHBondContact OD1-N 3.19Å
217K54.5Low52.6Low171 Ų17197 Ų9774%0.74352%0.52SS*.Hα-helixtrans-86-23.4177.3-62.8-175.3-176.3177.30113.2D214 A215D214-K217 HydrophobicContact CB-CD 4.29Å; D214-K217 HydrophobicContact CB-CG 4.27Å; D214-K217 PolarHBondContact O-N 2.73Å; A215-K217 PolarHBondContact O-N 3.13Å
218E49.9Very low50.8Low98 Ų98101.9 Ų101.946%0.45855%0.551SS.*Hα-helixtrans-90.2-19.5-176-91.5177.4-164.900114.6S189 T213 A215 K220 K221S189-E218 WeakPolarHBondContact CB-OE2 3.37Å; S189-E218 PolarHBondContact OG-OE2 2.8Å; T213-E218 PolarHBondContact OG1-OE1 2.76Å; A215-E218 PolarHBondContact O-N 2.84Å; A215-E218 VanDerWaalsContact O-N 3.16Å; E218-K220 PolarHBondContact O-N 3.04Å; E218-K221 PolarHBondContact O-N 3.43Å
219Q45.8Very low48.9Very low164 Ų164109 Ų10977%0.76659%0.589SS**THydrogen-bonded Turntrans-60.2-0.9-176.1-80.5-171.4-500116A215A215-Q219 PolarHBondContact O-N 3.2Å
220K37.9Very low46.8Very low200 Ų200111 Ų11187%0.8761%0.613SS**THydrogen-bonded Turntrans-86.7-2.6174.5-73.5-169.5177.1-178.40115.9E218E218-K220 PolarHBondContact O-N 3.04Å
221K36.1Very low44.8Very low199 Ų199118.7 Ų118.787%0.86565%0.648SS**SBendtrans-147.970.3-178.2-75.6-173.5175.2178.40115.4E218E218-K221 PolarHBondContact O-N 3.43Å
222A32Very low42.9Very low101 Ų101122 Ų12284%0.83566%0.663SS**  trans-164.8102.515200000110.3
223K27.6Very low41.6Very low212 Ų212125.1 Ų125.192%0.92269%0.688SS**  trans-103.4118164.5-85.1-174.9177.3-178.80108.7
224S26.2Very low40.7Very low102 Ų102127.2 Ų127.271%0.71370%0.697SS**  trans-15.5122160.6-176.90000116.2
225S26.7Very low40.5Very low117 Ų117129.5 Ų129.582%0.81871%0.71SS**  trans-105110.5158.851.20000108.1
226I24.3Very low41.2Very low145 Ų145132.2 Ų132.274%0.74473%0.728SS**  trans-97.2121.4171.5-66.2166.8000106.8
227S28.8Very low42.3Very low115 Ų115133.9 Ų133.980%0.80472%0.724SS**  trans-89.5124.7169.3-62.30000109.2
228P31.3Very low43.9Very low116 Ų116130.2 Ų130.275%0.75371%0.708SS**  trans-96.7105.6175.833-23.2000108.7
229D30.2Very low45.8Very low158 Ų158127.5 Ų127.585%0.84570%0.696SS**  trans-156.9140.3158.3-132-14.7000115.4
230G26.3Very low48Very low54 Ų54124.3 Ų124.356%0.55768%0.682SS**SBendtrans47.8115.4145.500000122.4L232G230-L232 PolarHBondContact O-N 2.84Å
231H33.4Very low50.5Low195 Ų195119.8 Ų119.890%0.90366%0.663SS**  trans71.413.5140.3-119.3-69.2000121V233H231-V233 PolarHBondContact O-N 3.23Å
232L35.6Very low53.3Low127 Ų127111 Ų11167%0.66563%0.627SS**  trans-80.9-0.4-174.8-66174000117.1G230 D234 S236G230-L232 PolarHBondContact O-N 2.84Å; L232-D234 PolarHBondContact O-N 3.38Å; L232-S236 WeakPolarHBondContact O-CB 3.3Å; L232-S236 PolarHBondContact O-N 2.89Å
233V45.3Very low56.3Low125 Ų125106.7 Ų106.776%0.75859%0.59SS**Hα-helixtrans-70.3-37.4-164.7-171.20000113.5H231 K237H231-V233 PolarHBondContact O-N 3.23Å; V233-K237 PolarHBondContact O-N 2.88Å
234D61.2Low59.5Low92 Ų92101.7 Ų101.749%0.49257%0.57SS.*Hα-helixtrans-71.8-46.1-176.5-17531.5000112.3L232 S236 K237 K238L232-D234 PolarHBondContact O-N 3.38Å; D234-S236 VanDerWaalsContact C-N 3.35Å; D234-S236 PolarHBondContact O-N 2.78Å; D234-K237 PolarHBondContact O-N 3.12Å; D234-K238 PolarHBondContact O-N 2.78Å; D234-K238 VanDerWaalsContact O-N 3.11Å; D234-K238 VanDerWaalsContact OD1-CE 3.27Å; D234-K238 WeakPolarHBondContact OD1-CE 3.46Å; D234-K238 IonicContact OD1-NZ 3.84Å; D234-K238 PolarHBondContact OD1-NZ 2.94Å; D234-K238 IonicContact OD2-NZ 3.66Å; D234-K238 PolarHBondContact OD2-NZ 2.91Å
235N71.2Confident62.8Low116 Ų11699.4 Ų99.462%0.6255%0.553SS**Hα-helixtrans-67.5-36.5-179.1-74.1-12.9000112.2K237 K238 L239N235-K237 PolarHBondContact O-N 3.19Å; N235-K238 PolarHBondContact O-N 2.86Å; N235-L239 WeakPolarHBondContact O-CB 3.29Å; N235-L239 PolarHBondContact O-N 2.99Å
236S79.4Confident66.2Low68 Ų6893.9 Ų93.948%0.47652%0.515SS..Hα-helixtrans-61.4-44.5176.7-176.90000111.5L232 D234 L239 Q240L232-S236 WeakPolarHBondContact O-CB 3.3Å; L232-S236 PolarHBondContact O-N 2.89Å; D234-S236 VanDerWaalsContact C-N 3.35Å; D234-S236 PolarHBondContact O-N 2.78Å; S236-L239 PolarHBondContact O-N 2.86Å; S236-Q240 WeakPolarHBondContact O-CG 3.31Å; S236-Q240 PolarHBondContact O-N 3.45Å
237K85.3Confident69.7Low136 Ų13687.6 Ų87.659%0.59148%0.483SS*.Hα-helixtrans-65.1-48.2178.7-171.1-179.3177.3-1680111.9V233 D234 N235 L239 Q240 E241V233-K237 PolarHBondContact O-N 2.88Å; D234-K237 PolarHBondContact O-N 3.12Å; N235-K237 PolarHBondContact O-N 3.19Å; K237-L239 VanDerWaalsContact C-N 3.26Å; K237-L239 PolarHBondContact O-N 2.77Å; K237-Q240 PolarHBondContact O-N 3.4Å; K237-Q240 VanDerWaalsContact O-N 3.17Å; K237-E241 WeakPolarHBondContact CE-OE1 3.31Å; K237-E241 IonicContact NZ-OE1 2.71Å; K237-E241 WeakPolarHBondContact O-CG 3.44Å; K237-E241 PolarHBondContact O-N 2.89Å
238K87.4Confident73Confident94 Ų9487.1 Ų87.141%0.40947%0.468SS..Hα-helixtrans-59.1-38.2176.3-74172.9177.21610112.2D234 N235 S242 L312D234-K238 PolarHBondContact O-N 2.78Å; D234-K238 VanDerWaalsContact O-N 3.11Å; D234-K238 VanDerWaalsContact OD1-CE 3.27Å; D234-K238 WeakPolarHBondContact OD1-CE 3.46Å; D234-K238 IonicContact OD1-NZ 3.84Å; D234-K238 PolarHBondContact OD1-NZ 2.94Å; D234-K238 IonicContact OD2-NZ 3.66Å; D234-K238 PolarHBondContact OD2-NZ 2.91Å; N235-K238 PolarHBondContact O-N 2.86Å; K238-S242 WeakPolarHBondContact O-CB 3.44Å; K238-S242 PolarHBondContact O-N 3.48Å; K238-S242 PolarHBondContact O-OG 3.36Å; K238-L312 HydrophobicContact CB-CD2 4.36Å
239L90.8Very high76.2Confident42 Ų4282.4 Ų82.422%0.2244%0.436CS..Hα-helixtrans-64.4-45.7175.4179.963.6000111.9N235 S236 K237 S242 I243 L312 I358N235-L239 WeakPolarHBondContact O-CB 3.29Å; N235-L239 PolarHBondContact O-N 2.99Å; S236-L239 PolarHBondContact O-N 2.86Å; K237-L239 VanDerWaalsContact C-N 3.26Å; K237-L239 PolarHBondContact O-N 2.77Å; L239-S242 PolarHBondContact O-N 2.95Å; L239-I243 HydrophobicContact CD1-CD1 4.28Å; L239-I243 HydrophobicContact CG-CD1 4.08Å; L239-I243 WeakPolarHBondContact O-CG1 3.49Å; L239-I243 PolarHBondContact O-N 3.45Å; L239-L312 HydrophobicContact CB-CD2 4.12Å; L239-L312 HydrophobicContact CD1-CD2 4.16Å; L239-I358 HydrophobicContact CD1-CB 3.85Å; L239-I358 HydrophobicContact CD1-CD1 4.23Å; L239-I358 HydrophobicContact CD1-CG1 4.41Å
240Q90.6Very high79.4Confident97 Ų9774.9 Ų74.945%0.45340%0.396SS..Hα-helixtrans-63-42176.5-69.6-59.6-43.500112.3S236 K237 S242 I243 H244S236-Q240 WeakPolarHBondContact O-CG 3.31Å; S236-Q240 PolarHBondContact O-N 3.45Å; K237-Q240 PolarHBondContact O-N 3.4Å; K237-Q240 VanDerWaalsContact O-N 3.17Å; Q240-S242 VanDerWaalsContact C-N 3.32Å; Q240-S242 PolarHBondContact O-N 2.91Å; Q240-I243 PolarHBondContact O-N 2.65Å; Q240-H244 WeakPolarHBondContact O-CB 3.14Å; Q240-H244 PolarHBondContact O-N 3.32Å
241E91.1Very high82.9Confident104 Ų10474 Ų7449%0.48638%0.379SS..Hα-helixtrans-61.8-40.9174.6-72.2171.3179.400111.6K237 H244 S245K237-E241 WeakPolarHBondContact CE-OE1 3.31Å; K237-E241 IonicContact NZ-OE1 2.71Å; K237-E241 WeakPolarHBondContact O-CG 3.44Å; K237-E241 PolarHBondContact O-N 2.89Å; E241-H244 PolarHBondContact O-N 3.41Å; E241-S245 WeakPolarHBondContact O-CB 3.48Å; E241-S245 PolarHBondContact O-N 3.04Å
242S94.1Very high85.9Confident15 Ų1569.9 Ų69.911%0.10536%0.36CS..Hα-helixtrans-65.5-44.8176.6-59.80000112K238 L239 Q240 H244 S245 V246 L312K238-S242 WeakPolarHBondContact O-CB 3.44Å; K238-S242 PolarHBondContact O-N 3.48Å; K238-S242 PolarHBondContact O-OG 3.36Å; L239-S242 PolarHBondContact O-N 2.95Å; Q240-S242 VanDerWaalsContact C-N 3.32Å; Q240-S242 PolarHBondContact O-N 2.91Å; S242-H244 VanDerWaalsContact C-N 3.32Å; S242-H244 PolarHBondContact O-N 3.16Å; S242-S245 WeakPolarHBondContact O-CB 3.47Å; S242-S245 PolarHBondContact O-N 2.62Å; S242-V246 VanDerWaalsContact O-CG2 3.27Å; S242-V246 WeakPolarHBondContact O-CG2 3.33Å; S242-V246 PolarHBondContact O-N 3.24Å; S242-L312 WeakPolarHBondContact OG-CG 3.39Å; S242-L312 PolarHBondContact OG-O 3.46Å; S242-L312 VanDerWaalsContact OG-O 3.13Å
243I95.9Very high88.9Confident11 Ų1165 Ų656%0.05633%0.333CS..Hα-helixtrans-58.9-45.3174.3-73.3167.3000110.4L239 Q240 S245 V246 V247 L264 V356 I358L239-I243 HydrophobicContact CD1-CD1 4.28Å; L239-I243 HydrophobicContact CG-CD1 4.08Å; L239-I243 WeakPolarHBondContact O-CG1 3.49Å; L239-I243 PolarHBondContact O-N 3.45Å; Q240-I243 PolarHBondContact O-N 2.65Å; I243-S245 VanDerWaalsContact C-N 3.34Å; I243-S245 PolarHBondContact O-N 3.42Å; I243-V246 WeakPolarHBondContact O-CB 3.35Å; I243-V246 PolarHBondContact O-N 2.75Å; I243-V247 WeakPolarHBondContact O-CG2 3.28Å; I243-V247 PolarHBondContact O-N 3.2Å; I243-V247 VanDerWaalsContact O-N 3.14Å; I243-L264 HydrophobicContact CG2-CD1 4.1Å; I243-L264 HydrophobicContact CG2-CD2 3.84Å; I243-V356 HydrophobicContact CB-CG1 4.5Å; I243-V356 HydrophobicContact CG1-CB 4.29Å; I243-V356 HydrophobicContact CG1-CG1 4.03Å; I243-V356 HydrophobicContact CG2-CB 4.02Å; I243-V356 HydrophobicContact CG2-CG1 4.46Å; I243-V356 HydrophobicContact CG2-CG2 4.49Å; I243-I358 HydrophobicContact CG1-CD1 4.06Å
244H93.7Very high91.4Very high107 Ų10759 Ų5950%0.49530%0.297SS..Hα-helixtrans-60.9-43.9177.3-170.673.1000111.7Q240 E241 S242 V246 V247 Q248Q240-H244 WeakPolarHBondContact O-CB 3.14Å; Q240-H244 PolarHBondContact O-N 3.32Å; E241-H244 PolarHBondContact O-N 3.41Å; S242-H244 VanDerWaalsContact C-N 3.32Å; S242-H244 PolarHBondContact O-N 3.16Å; H244-V246 VanDerWaalsContact C-N 3.34Å; H244-V246 PolarHBondContact O-N 2.78Å; H244-V247 PolarHBondContact O-N 3.49Å; H244-Q248 PolarHBondContact CD2-NE2 2.92Å; H244-Q248 VanDerWaalsContact CD2-NE2 3.29Å; H244-Q248 VanDerWaalsContact NE2-CD 3.29Å; H244-Q248 PolarHBondContact NE2-NE2 3.28Å; H244-Q248 WeakPolarHBondContact O-CB 3.47Å; H244-Q248 WeakPolarHBondContact O-CG 3.15Å; H244-Q248 PolarHBondContact O-N 3.33Å
245S95.9Very high93.1Very high53 Ų5358.2 Ų58.237%0.37130%0.298SS..Hα-helixtrans-61-40.8176.5-174.60000112.4E241 S242 I243 V247 Q248 L249E241-S245 WeakPolarHBondContact O-CB 3.48Å; E241-S245 PolarHBondContact O-N 3.04Å; S242-S245 WeakPolarHBondContact O-CB 3.47Å; S242-S245 PolarHBondContact O-N 2.62Å; I243-S245 VanDerWaalsContact C-N 3.34Å; I243-S245 PolarHBondContact O-N 3.42Å; S245-V247 PolarHBondContact O-N 3.23Å; S245-Q248 PolarHBondContact O-N 2.78Å; S245-L249 WeakPolarHBondContact O-CB 3.49Å; S245-L249 PolarHBondContact O-N 3.12Å
246V98.4Very high94.3Very high1 Ų156.1 Ų56.11%0.00629%0.285CS..Hα-helixtrans-57.1-49.9174.4170.10000110.6S242 I243 H244 L249 H250 C314 I318 V356 I358 L377S242-V246 VanDerWaalsContact O-CG2 3.27Å; S242-V246 WeakPolarHBondContact O-CG2 3.33Å; S242-V246 PolarHBondContact O-N 3.24Å; I243-V246 WeakPolarHBondContact O-CB 3.35Å; I243-V246 PolarHBondContact O-N 2.75Å; H244-V246 VanDerWaalsContact C-N 3.34Å; H244-V246 PolarHBondContact O-N 2.78Å; V246-L249 PolarHBondContact O-N 3.14Å; V246-H250 PolarHBondContact O-N 3.42Å; V246-H250 VanDerWaalsContact O-N 3.08Å; V246-H250 PolarHBondContact O-ND1 2.91Å; V246-C314 HydrophobicContact CG2-CB 3.7Å; V246-I318 HydrophobicContact CB-CD1 3.98Å; V246-I318 HydrophobicContact CG1-CD1 3.82Å; V246-I318 HydrophobicContact CG2-CD1 3.91Å; V246-V356 HydrophobicContact CB-CG1 4.09Å; V246-V356 HydrophobicContact CB-CG2 4.36Å; V246-V356 HydrophobicContact CG1-CB 4.49Å; V246-V356 HydrophobicContact CG1-CG1 3.85Å; V246-V356 HydrophobicContact CG1-CG2 3.75Å; V246-V356 HydrophobicContact CG2-CG1 4.15Å; V246-I358 HydrophobicContact CG2-CD1 4.4Å; V246-L377 HydrophobicContact CG1-CD1 4.45Å; V246-L377 HydrophobicContact CG2-CD1 4.08Å
247V98.2Very high95.2Very high13 Ų1353 Ų538%0.07926%0.263CS..Hα-helixtrans-65.9-42.9-179.2178.30000111.5I243 H244 S245 L249 H250 N251 L264 I354 V356I243-V247 WeakPolarHBondContact O-CG2 3.28Å; I243-V247 PolarHBondContact O-N 3.2Å; I243-V247 VanDerWaalsContact O-N 3.14Å; H244-V247 PolarHBondContact O-N 3.49Å; S245-V247 PolarHBondContact O-N 3.23Å; V247-L249 VanDerWaalsContact C-N 3.35Å; V247-L249 PolarHBondContact O-N 3.49Å; V247-H250 PolarHBondContact O-N 3.21Å; V247-N251 WeakPolarHBondContact O-CB 3.21Å; V247-N251 PolarHBondContact O-N 3.14Å; V247-L264 HydrophobicContact CG2-CB 4.27Å; V247-L264 HydrophobicContact CG2-CD1 3.88Å; V247-L264 HydrophobicContact CG2-CG 4.49Å; V247-I354 HydrophobicContact CG1-CG2 4.2Å; V247-I354 HydrophobicContact CG2-CG2 3.88Å; V247-V356 HydrophobicContact CG2-CG2 3.99Å
248Q97.4Very high95.6Very high105 Ų10548.3 Ų48.349%0.49125%0.253SS..Hα-helixtrans-59.1-45.9176.9-76.5-178.1-3100111.6H244 S245 N251 Q252H244-Q248 PolarHBondContact CD2-NE2 2.92Å; H244-Q248 VanDerWaalsContact CD2-NE2 3.29Å; H244-Q248 VanDerWaalsContact NE2-CD 3.29Å; H244-Q248 PolarHBondContact NE2-NE2 3.28Å; H244-Q248 WeakPolarHBondContact O-CB 3.47Å; H244-Q248 WeakPolarHBondContact O-CG 3.15Å; H244-Q248 PolarHBondContact O-N 3.33Å; S245-Q248 PolarHBondContact O-N 2.78Å; Q248-N251 PolarHBondContact O-N 3.17Å; Q248-Q252 PolarHBondContact O-N 2.71Å
249L98.4Very high95.9Very high17 Ų1744.2 Ų44.29%0.08924%0.236CC..Hα-helixtrans-66.5-39.6-179.6-174.855.2000112S245 V246 V247 N251 Q252 Y253 K315 I318S245-L249 WeakPolarHBondContact O-CB 3.49Å; S245-L249 PolarHBondContact O-N 3.12Å; V246-L249 PolarHBondContact O-N 3.14Å; V247-L249 VanDerWaalsContact C-N 3.35Å; V247-L249 PolarHBondContact O-N 3.49Å; L249-N251 VanDerWaalsContact C-N 3.32Å; L249-N251 PolarHBondContact O-N 3.4Å; L249-Q252 PolarHBondContact O-N 2.9Å; L249-Y253 HydrophobicContact CD1-CD2 4.19Å; L249-Y253 HydrophobicContact CD1-CE2 3.6Å; L249-Y253 HydrophobicContact CD2-CE2 4.38Å; L249-Y253 HydrophobicContact CG-CD2 4.19Å; L249-Y253 HydrophobicContact CG-CE2 3.72Å; L249-Y253 VanDerWaalsContact O-CD2 3.25Å; L249-Y253 WeakPolarHBondContact O-CD2 3.32Å; L249-Y253 PolarHBondContact O-N 3.19Å; L249-Y253 VanDerWaalsContact O-N 3.09Å; L249-K315 HydrophobicContact CD2-CG 4.05Å; L249-I318 HydrophobicContact CB-CD1 4.45Å; L249-I318 HydrophobicContact CD2-CB 3.73Å; L249-I318 HydrophobicContact CD2-CD1 3.99Å; L249-I318 HydrophobicContact CD2-CG1 4.49Å; L249-I318 HydrophobicContact CD2-CG2 3.75Å; L249-I318 HydrophobicContact CG-CB 4.4Å; L249-I318 HydrophobicContact CG-CG2 3.84Å
250H98.6Very high96Very high0 Ų048.1 Ų48.10%026%0.257CS..Hα-helixtrans-56.8-48170.2-79.972.8000111.3V246 V247 Q252 Y253 R254 L262 Y381V246-H250 PolarHBondContact O-N 3.42Å; V246-H250 VanDerWaalsContact O-N 3.08Å; V246-H250 PolarHBondContact O-ND1 2.91Å; V247-H250 PolarHBondContact O-N 3.21Å; H250-Q252 VanDerWaalsContact C-N 3.34Å; H250-Q252 PolarHBondContact O-N 3.46Å; H250-Y253 PolarHBondContact O-N 2.88Å; H250-R254 VanDerWaalsContact O-CG 3.25Å; H250-R254 WeakPolarHBondContact O-CG 3.23Å; H250-R254 PolarHBondContact O-N 3.13Å; H250-L262 HydrophobicContact CB-CD1 4.39Å; H250-Y381 AromaticContact CD2-CE1 3.77Å; H250-Y381 PolarHBondContact CD2-OH 2.94Å; H250-Y381 AromaticContact NE2-CE1 3.84Å; H250-Y381 AromaticContact NE2-CZ 3.69Å; H250-Y381 PolarHBondContact NE2-OH 3.17Å
251N98.3Very high96.2Very high35 Ų3547.5 Ų47.519%0.18726%0.262CS..Hα-helixtrans-69.9-30.7-177-72.9-18.7000113V247 Q248 L249 R254 S255 P261 L262V247-N251 WeakPolarHBondContact O-CB 3.21Å; V247-N251 PolarHBondContact O-N 3.14Å; Q248-N251 PolarHBondContact O-N 3.17Å; L249-N251 VanDerWaalsContact C-N 3.32Å; L249-N251 PolarHBondContact O-N 3.4Å; N251-R254 PolarHBondContact O-N 2.73Å; N251-S255 WeakPolarHBondContact O-CB 3.39Å; N251-S255 PolarHBondContact O-N 2.83Å; N251-S255 PolarHBondContact O-OG 3.39Å; N251-P261 HydrophobicContact CB-CB 4.29Å; N251-P261 WeakPolarHBondContact OD1-CA 3.38Å; N251-L262 PolarHBondContact ND2-O 2.65Å; N251-L262 PolarHBondContact OD1-N 3.26Å
252Q97.7Very high96.6Very high110 Ų11042.8 Ų42.851%0.51424%0.24SC..Hα-helixtrans-62.8-44.8169.5-179.6-178.6-23.800111.4Q248 L249 H250 S255 Q256Q248-Q252 PolarHBondContact O-N 2.71Å; L249-Q252 PolarHBondContact O-N 2.9Å; H250-Q252 VanDerWaalsContact C-N 3.34Å; H250-Q252 PolarHBondContact O-N 3.46Å; Q252-S255 PolarHBondContact O-OG 2.78Å; Q252-Q256 WeakPolarHBondContact O-CG 3.49Å; Q252-Q256 PolarHBondContact O-N 3.47Å
253Y98.4Very high96.6Very high23 Ų2346.6 Ų46.69%0.0926%0.262CS..Hα-helixtrans-68.2-40.2174.9-69.9-48.9000112L249 H250 S255 Q256 H257 I318 Y322L249-Y253 HydrophobicContact CD1-CD2 4.19Å; L249-Y253 HydrophobicContact CD1-CE2 3.6Å; L249-Y253 HydrophobicContact CD2-CE2 4.38Å; L249-Y253 HydrophobicContact CG-CD2 4.19Å; L249-Y253 HydrophobicContact CG-CE2 3.72Å; L249-Y253 VanDerWaalsContact O-CD2 3.25Å; L249-Y253 WeakPolarHBondContact O-CD2 3.32Å; L249-Y253 PolarHBondContact O-N 3.19Å; L249-Y253 VanDerWaalsContact O-N 3.09Å; H250-Y253 PolarHBondContact O-N 2.88Å; Y253-S255 VanDerWaalsContact C-N 3.32Å; Y253-S255 PolarHBondContact O-N 3Å; Y253-Q256 WeakPolarHBondContact O-CB 3.22Å; Y253-Q256 PolarHBondContact O-N 3.01Å; Y253-H257 PolarHBondContact O-CD2 3.45Å; Y253-H257 PolarHBondContact O-N 2.68Å; Y253-I318 HydrophobicContact CD2-CG2 4.34Å; Y253-I318 HydrophobicContact CE2-CG2 4.08Å; Y253-Y322 AromaticContact CD1-CD1 3.62Å; Y253-Y322 HydrophobicContact CD1-CD1 3.62Å; Y253-Y322 AromaticContact CD1-CD2 3.44Å; Y253-Y322 HydrophobicContact CD1-CD2 3.44Å; Y253-Y322 VanDerWaalsContact CD1-CD2 3.44Å; Y253-Y322 AromaticContact CD1-CE1 3.57Å; Y253-Y322 HydrophobicContact CD1-CE1 3.57Å; Y253-Y322 AromaticContact CD1-CE2 3.41Å; Y253-Y322 HydrophobicContact CD1-CE2 3.41Å; Y253-Y322 VanDerWaalsContact CD1-CE2 3.41Å; Y253-Y322 AromaticContact CD1-CG 3.55Å; Y253-Y322 HydrophobicContact CD1-CG 3.55Å; Y253-Y322 AromaticContact CD1-CZ 3.47Å; Y253-Y322 VanDerWaalsContact CD1-CZ 3.47Å; Y253-Y322 AromaticContact CD2-CD2 3.78Å; Y253-Y322 HydrophobicContact CD2-CD2 3.78Å; Y253-Y322 HydrophobicContact CD2-CE2 4.46Å; Y253-Y322 AromaticContact CD2-CG 3.87Å; Y253-Y322 HydrophobicContact CD2-CG 3.87Å; Y253-Y322 AromaticContact CE1-CD1 3.28Å; Y253-Y322 HydrophobicContact CE1-CD1 3.28Å; Y253-Y322 AromaticContact CE1-CD2 3.94Å; Y253-Y322 HydrophobicContact CE1-CD2 3.94Å; Y253-Y322 AromaticContact CE1-CE1 3.51Å; Y253-Y322 HydrophobicContact CE1-CE1 3.51Å; Y253-Y322 HydrophobicContact CE1-CE2 4.14Å; Y253-Y322 AromaticContact CE1-CG 3.51Å; Y253-Y322 HydrophobicContact CE1-CG 3.51Å; Y253-Y322 AromaticContact CE1-CZ 3.94Å; Y253-Y322 HydrophobicContact CE2-CD1 4.33Å; Y253-Y322 HydrophobicContact CE2-CD2 4.21Å; Y253-Y322 AromaticContact CE2-CG 3.8Å; Y253-Y322 HydrophobicContact CE2-CG 3.8Å; Y253-Y322 HydrophobicContact CG-CD1 4.3Å; Y253-Y322 AromaticContact CG-CD2 3.36Å; Y253-Y322 HydrophobicContact CG-CD2 3.36Å; Y253-Y322 HydrophobicContact CG-CE1 4.48Å; Y253-Y322 AromaticContact CG-CE2 3.61Å; Y253-Y322 HydrophobicContact CG-CE2 3.61Å; Y253-Y322 AromaticContact CG-CG 3.75Å; Y253-Y322 HydrophobicContact CG-CG 3.75Å; Y253-Y322 AromaticContact CZ-CD1 3.67Å; Y253-Y322 AromaticContact CZ-CG 3.62Å
254R98.2Very high96.6Very high1 Ų149.2 Ų49.20%0.00428%0.276CS..Hα-helixtrans-62.6-38.5178.3-71.9175.269.984.6-2.2112.8H250 N251 Q256 H257 G258 S259 N260 I346 W348 S351H250-R254 VanDerWaalsContact O-CG 3.25Å; H250-R254 WeakPolarHBondContact O-CG 3.23Å; H250-R254 PolarHBondContact O-N 3.13Å; N251-R254 PolarHBondContact O-N 2.73Å; R254-Q256 VanDerWaalsContact C-N 3.32Å; R254-Q256 PolarHBondContact O-N 3.26Å; R254-H257 CarbonylContact O-C 3.59Å; R254-H257 PolarHBondContact O-N 3.09Å; R254-G258 PolarHBondContact O-N 3.47Å; R254-S259 PolarHBondContact O-N 2.95Å; R254-N260 VanDerWaalsContact CZ-O 3.25Å; R254-N260 PolarHBondContact NE-O 3.5Å; R254-N260 PolarHBondContact NH2-O 2.84Å; R254-I346 VanDerWaalsContact CD-O 3.3Å; R254-I346 WeakPolarHBondContact CD-O 3.45Å; R254-I346 WeakPolarHBondContact CG-O 3.5Å; R254-I346 PolarHBondContact NH1-O 2.91Å; R254-W348 PolarHBondContact NH1-O 3.25Å; R254-W348 PolarHBondContact NH2-O 2.85Å; R254-S351 PolarHBondContact NH2-O 3.32Å
255S96.5Very high96.6Very high74 Ų7445 Ų4552%0.51726%0.257SS..Hα-helixtrans-64.4-37177.471.20000112.1N251 Q252 Y253 H257 G258N251-S255 WeakPolarHBondContact O-CB 3.39Å; N251-S255 PolarHBondContact O-N 2.83Å; N251-S255 PolarHBondContact O-OG 3.39Å; Q252-S255 PolarHBondContact O-OG 2.78Å; Y253-S255 VanDerWaalsContact C-N 3.32Å; Y253-S255 PolarHBondContact O-N 3Å; S255-H257 PolarHBondContact O-N 3.21Å; S255-G258 PolarHBondContact O-N 3Å; S255-G258 VanDerWaalsContact O-N 3.08Å
256Q97Very high96.3Very high72 Ų7247.9 Ų47.934%0.33626%0.264SS..Hα-helixtrans-59-28.8172.9-67.2172.83.300112Q252 Y253 R254 Y322 A398 I399Q252-Q256 WeakPolarHBondContact O-CG 3.49Å; Q252-Q256 PolarHBondContact O-N 3.47Å; Y253-Q256 WeakPolarHBondContact O-CB 3.22Å; Y253-Q256 PolarHBondContact O-N 3.01Å; R254-Q256 VanDerWaalsContact C-N 3.32Å; R254-Q256 PolarHBondContact O-N 3.26Å; Q256-Y322 PolarHBondContact OE1-OH 2.97Å; Q256-Y322 VanDerWaalsContact OE1-OH 3.13Å; Q256-A398 CarbonylContact O-C 3.6Å; Q256-A398 WeakPolarHBondContact O-CA 3.23Å; Q256-I399 PolarHBondContact O-N 3.14Å
257H97.1Very high95.8Very high3 Ų352.5 Ų52.51%0.01429%0.289CS..THydrogen-bonded Turntrans-100.710179.8-67.8-104.1000113.5Y253 R254 S255 S259 Y322 F343 V347 K396Y253-H257 PolarHBondContact O-CD2 3.45Å; Y253-H257 PolarHBondContact O-N 2.68Å; R254-H257 CarbonylContact O-C 3.59Å; R254-H257 PolarHBondContact O-N 3.09Å; S255-H257 PolarHBondContact O-N 3.21Å; H257-S259 PolarHBondContact O-N 3.38Å; H257-Y322 AromaticContact NE2-CE2 3.58Å; H257-Y322 AromaticContact NE2-CZ 3.62Å; H257-Y322 PolarHBondContact NE2-OH 2.85Å; H257-F343 AromaticContact CE1-CE2 3.64Å; H257-F343 AromaticContact CE1-CZ 3.61Å; H257-F343 AromaticContact NE2-CE2 3.81Å; H257-V347 HydrophobicContact CB-CB 4.24Å; H257-V347 HydrophobicContact CB-CG1 4.34Å; H257-K396 PolarHBondContact ND1-O 2.71Å
258G93.2Very high95.4Very high37 Ų3751.9 Ų51.938%0.38129%0.285SS..THydrogen-bonded Turntrans6425.5-178.100000114R254 S255R254-G258 PolarHBondContact O-N 3.47Å; S255-G258 PolarHBondContact O-N 3Å; S255-G258 VanDerWaalsContact O-N 3.08Å
259S95Very high95.2Very high8 Ų847.3 Ų47.36%0.05627%0.265CS..PPolyproline II helixtrans-95.6140.5176.6-67.60000110.6R254 H257 V347R254-S259 PolarHBondContact O-N 2.95Å; H257-S259 PolarHBondContact O-N 3.38Å; S259-V347 PolarHBondContact OG-O 2.8Å
260N91.7Very high94.7Very high125 Ų12550 Ų5067%0.66828%0.279SS*.PPolyproline II helixtrans-60.6146.2178.6-70.4-25.1000111.1R254R254-N260 VanDerWaalsContact CZ-O 3.25Å; R254-N260 PolarHBondContact NE-O 3.5Å; R254-N260 PolarHBondContact NH2-O 2.84Å
261P96Very high94.2Very high84 Ų8450.9 Ų50.955%0.54528%0.284SS..PPolyproline II helixtrans-63.6142.1179.827.3-34.8000111.5N251N251-P261 HydrophobicContact CB-CB 4.29Å; N251-P261 WeakPolarHBondContact OD1-CA 3.38Å
262L98.3Very high94.1Very high5 Ų549.2 Ų49.23%0.02628%0.275CS..PPolyproline II helixtrans-73.4138169.3-64165.8000109.8H250 N251 S351 E352 I354 Y381H250-L262 HydrophobicContact CB-CD1 4.39Å; N251-L262 PolarHBondContact ND2-O 2.65Å; N251-L262 PolarHBondContact OD1-N 3.26Å; L262-S351 VanDerWaalsContact CD2-O 3.25Å; L262-S351 WeakPolarHBondContact CD2-O 3.41Å; L262-E352 WeakPolarHBondContact CA-O 3.42Å; L262-I354 HydrophobicContact CB-CB 4.07Å; L262-I354 HydrophobicContact CB-CG2 3.83Å; L262-I354 HydrophobicContact CD1-CB 4.11Å; L262-I354 HydrophobicContact CD1-CD1 4.26Å; L262-Y381 HydrophobicContact CD1-CD1 3.89Å; L262-Y381 HydrophobicContact CD1-CE1 3.93Å
263V93.6Very high93.9Very high95 Ų9545.9 Ų45.958%0.57626%0.259SS*.EExtended strand (participates in β ladder)trans-96.2129.4172.9-178.50000109.3D265 E352 R353 I354V263-D265 PolarHBondContact O-N 2.85Å; V263-E352 PolarHBondContact N-O 3Å; V263-R353 VanDerWaalsContact O-CA 3.27Å; V263-R353 WeakPolarHBondContact O-CA 3.2Å; V263-I354 PolarHBondContact O-N 3.39Å
264L96.5Very high93.4Very high65 Ų6549.6 Ų49.634%0.3428%0.277SS..EExtended strand (participates in β ladder)trans-64123.5173.8-176.165.2000109.6I243 V247 S269 I354 V356I243-L264 HydrophobicContact CG2-CD1 4.1Å; I243-L264 HydrophobicContact CG2-CD2 3.84Å; V247-L264 HydrophobicContact CG2-CB 4.27Å; V247-L264 HydrophobicContact CG2-CD1 3.88Å; V247-L264 HydrophobicContact CG2-CG 4.49Å; L264-S269 VanDerWaalsContact CD1-OG 3.25Å; L264-S269 WeakPolarHBondContact CD1-OG 3.47Å; L264-I354 CarbonylContact C-O 3.47Å; L264-I354 WeakPolarHBondContact CA-O 3.48Å; L264-I354 HydrophobicContact CD1-CG2 4.5Å; L264-V356 HydrophobicContact CD1-CG2 4.22Å
265D94.9Very high93.1Very high18 Ų1849.7 Ų49.710%0.09628%0.278CS..  trans-110.1124.3178.8-178.7-63.8000109.4V263 N267 L268 S269 Y292 R353 I354V263-D265 PolarHBondContact O-N 2.85Å; D265-N267 PolarHBondContact O-N 3.01Å; D265-N267 WeakPolarHBondContact OD1-CA 3.33Å; D265-N267 WeakPolarHBondContact OD1-CB 3.4Å; D265-N267 PolarHBondContact OD1-N 3.18Å; D265-L268 HydrophobicContact CB-CB 4.08Å; D265-L268 HydrophobicContact CB-CD1 3.99Å; D265-L268 HydrophobicContact CB-CG 4.33Å; D265-L268 PolarHBondContact O-N 3.31Å; D265-L268 PolarHBondContact OD1-N 2.59Å; D265-S269 WeakPolarHBondContact O-CB 3.48Å; D265-S269 PolarHBondContact O-N 2.95Å; D265-S269 PolarHBondContact O-OG 3.47Å; D265-Y292 VanDerWaalsContact CG-OH 3.24Å; D265-Y292 PolarHBondContact OD1-OH 3.06Å; D265-Y292 PolarHBondContact OD2-OH 2.78Å; D265-R353 HydrophobicContact CB-CB 4.18Å; D265-R353 HydrophobicContact CB-CG 4.46Å; D265-R353 WeakPolarHBondContact OD2-CD 3.27Å; D265-R353 IonicContact OD2-NE 3.22Å; D265-I354 PolarHBondContact N-O 3Å
266Q89.3Confident93Very high114 Ų11446.2 Ų46.253%0.53325%0.253SS..Hα-helixtrans-66.7-36.3-174.4-170.661.150.700112.5S269 N270Q266-S269 PolarHBondContact O-N 3Å; Q266-N270 PolarHBondContact NE2-OD1 2.83Å; Q266-N270 PolarHBondContact O-N 3.2Å; Q266-N270 PolarHBondContact O-ND2 2.75Å; Q266-N270 PolarHBondContact O-OD1 2.77Å
267N87.4Confident92.6Very high99 Ų9946.5 Ų46.553%0.52926%0.257SS..Hα-helixtrans-70.2-45.4179.6-70.2-22.7000110.4D265 S269 N270 M271 Y292D265-N267 PolarHBondContact O-N 3.01Å; D265-N267 WeakPolarHBondContact OD1-CA 3.33Å; D265-N267 WeakPolarHBondContact OD1-CB 3.4Å; D265-N267 PolarHBondContact OD1-N 3.18Å; N267-S269 VanDerWaalsContact C-N 3.27Å; N267-S269 PolarHBondContact O-N 2.84Å; N267-N270 PolarHBondContact O-N 2.97Å; N267-M271 WeakPolarHBondContact O-CG 3.26Å; N267-M271 PolarHBondContact O-N 2.92Å; N267-Y292 HydrophobicContact CB-CE2 3.87Å
268L89.4Confident92.1Very high0 Ų048.5 Ų48.50%027%0.267CS..Hα-helixtrans-59.9-37.8171.9-79171.6000111.9D265 M271 A272 Y292 V297 R353 L380 H382D265-L268 HydrophobicContact CB-CB 4.08Å; D265-L268 HydrophobicContact CB-CD1 3.99Å; D265-L268 HydrophobicContact CB-CG 4.33Å; D265-L268 PolarHBondContact O-N 3.31Å; D265-L268 PolarHBondContact OD1-N 2.59Å; L268-M271 HydrophobicContact CD2-SD 4.44Å; L268-M271 PolarHBondContact O-N 3.24Å; L268-A272 VanDerWaalsContact O-CB 3.3Å; L268-A272 WeakPolarHBondContact O-CB 3.29Å; L268-A272 PolarHBondContact O-N 2.73Å; L268-Y292 HydrophobicContact CD1-CD1 3.66Å; L268-Y292 HydrophobicContact CD1-CE1 3.66Å; L268-Y292 HydrophobicContact CD1-CG 4.41Å; L268-Y292 HydrophobicContact CD2-CD1 3.61Å; L268-Y292 HydrophobicContact CD2-CD2 4.13Å; L268-Y292 HydrophobicContact CD2-CE1 4.27Å; L268-Y292 HydrophobicContact CD2-CG 3.53Å; L268-Y292 HydrophobicContact CG-CD1 3.55Å; L268-Y292 HydrophobicContact CG-CD2 4.16Å; L268-Y292 HydrophobicContact CG-CE1 3.67Å; L268-Y292 HydrophobicContact CG-CE2 4.3Å; L268-Y292 HydrophobicContact CG-CG 3.8Å; L268-V297 HydrophobicContact CD2-CG1 3.53Å; L268-R353 HydrophobicContact CD1-CB 3.94Å; L268-L380 HydrophobicContact CD2-CB 4.09Å; L268-H382 HydrophobicContact CD1-CB 3.87Å
269S93.4Very high91.9Very high8 Ų846.8 Ų46.86%0.05625%0.248CC..Hα-helixtrans-67.4-39.8177.8-57.70000112L264 D265 Q266 N267 M271 A272 Q273 G355 V356L264-S269 VanDerWaalsContact CD1-OG 3.25Å; L264-S269 WeakPolarHBondContact CD1-OG 3.47Å; D265-S269 WeakPolarHBondContact O-CB 3.48Å; D265-S269 PolarHBondContact O-N 2.95Å; D265-S269 PolarHBondContact O-OG 3.47Å; Q266-S269 PolarHBondContact O-N 3Å; N267-S269 VanDerWaalsContact C-N 3.27Å; N267-S269 PolarHBondContact O-N 2.84Å; S269-M271 VanDerWaalsContact C-N 3.32Å; S269-M271 PolarHBondContact O-N 2.81Å; S269-A272 PolarHBondContact O-N 3.34Å; S269-Q273 WeakPolarHBondContact O-CB 3.3Å; S269-Q273 PolarHBondContact O-N 2.92Å; S269-G355 WeakPolarHBondContact OG-CA 3.36Å; S269-V356 PolarHBondContact OG-N 2.93Å
270N87.8Confident91.6Very high73 Ų7347.9 Ų47.939%0.3925%0.254SS..Hα-helixtrans-62.1-41.6174.1-65.2-16.2000111.4Q266 N267 Q274Q266-N270 PolarHBondContact NE2-OD1 2.83Å; Q266-N270 PolarHBondContact O-N 3.2Å; Q266-N270 PolarHBondContact O-ND2 2.75Å; Q266-N270 PolarHBondContact O-OD1 2.77Å; N267-N270 PolarHBondContact O-N 2.97Å; N270-Q274 WeakPolarHBondContact O-CG 3.29Å; N270-Q274 PolarHBondContact O-N 2.89Å; N270-Q274 VanDerWaalsContact O-N 3.09Å; N270-Q274 PolarHBondContact O-NE2 2.96Å
271M88.8Confident91.3Very high19 Ų1949.8 Ų49.89%0.09426%0.258CS..Hα-helixtrans-64.2-47.6174.3-65167.376.600110.8N267 L268 S269 Q273 Q274 W275 Y290 Y292 L380N267-M271 WeakPolarHBondContact O-CG 3.26Å; N267-M271 PolarHBondContact O-N 2.92Å; L268-M271 HydrophobicContact CD2-SD 4.44Å; L268-M271 PolarHBondContact O-N 3.24Å; S269-M271 VanDerWaalsContact C-N 3.32Å; S269-M271 PolarHBondContact O-N 2.81Å; M271-Q273 VanDerWaalsContact C-N 3.29Å; M271-Q273 PolarHBondContact O-N 3.45Å; M271-Q274 PolarHBondContact O-N 2.81Å; M271-W275 PolarHBondContact O-N 2.95Å; M271-Y290 HydrophobicContact CB-CD2 3.97Å; M271-Y290 HydrophobicContact CB-CE2 3.85Å; M271-Y290 HydrophobicContact CE-CD1 3.83Å; M271-Y290 HydrophobicContact CE-CD2 4.01Å; M271-Y290 HydrophobicContact CE-CG 3.55Å; M271-Y290 VanDerWaalsContact O-CE2 3.23Å; M271-Y290 WeakPolarHBondContact O-CE2 3.46Å; M271-Y292 HydrophobicContact SD-CD2 4.13Å; M271-L380 HydrophobicContact CB-CD1 3.85Å
272A95.4Very high90.6Very high0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-58.4-42.1178.400000111.7L268 S269 W275 A276 G357 V378 L380L268-A272 VanDerWaalsContact O-CB 3.3Å; L268-A272 WeakPolarHBondContact O-CB 3.29Å; L268-A272 PolarHBondContact O-N 2.73Å; S269-A272 PolarHBondContact O-N 3.34Å; A272-W275 PolarHBondContact O-N 3.4Å; A272-A276 WeakPolarHBondContact O-CB 3.48Å; A272-A276 PolarHBondContact O-N 2.83Å; A272-G357 VanDerWaalsContact CB-N 3.33Å; A272-V378 HydrophobicContact CB-CB 4.3Å; A272-V378 HydrophobicContact CB-CG1 3.99Å; A272-L380 HydrophobicContact CB-CD1 3.83Å; A272-L380 HydrophobicContact CB-CG 3.78Å
273Q93.7Very high89.6Confident41 Ų4153.5 Ų53.519%0.19228%0.28CS..Hα-helixtrans-64.8-47.4177.9-172.361.451.400111.7S269 M271 W275 A276 D277 I358S269-Q273 WeakPolarHBondContact O-CB 3.3Å; S269-Q273 PolarHBondContact O-N 2.92Å; M271-Q273 VanDerWaalsContact C-N 3.29Å; M271-Q273 PolarHBondContact O-N 3.45Å; Q273-W275 PolarHBondContact O-N 2.57Å; Q273-A276 WeakPolarHBondContact O-CB 3.26Å; Q273-A276 PolarHBondContact O-N 2.98Å; Q273-A276 VanDerWaalsContact O-N 3.1Å; Q273-D277 PolarHBondContact NE2-OD1 2.82Å; Q273-D277 VanDerWaalsContact O-CG 3.23Å; Q273-D277 PolarHBondContact O-N 3.47Å; Q273-I358 PolarHBondContact NE2-O 2.79Å; Q273-I358 PolarHBondContact OE1-O 2.94Å
274Q88.4Confident89Confident101 Ų10153.7 Ų53.747%0.47228%0.275SS..Hα-helixtrans-55.9-40.1175.7-74.7173.248.800111.8N270 M271 H278N270-Q274 WeakPolarHBondContact O-CG 3.29Å; N270-Q274 PolarHBondContact O-N 2.89Å; N270-Q274 VanDerWaalsContact O-N 3.09Å; N270-Q274 PolarHBondContact O-NE2 2.96Å; M271-Q274 PolarHBondContact O-N 2.81Å; Q274-H278 PolarHBondContact O-N 3.49Å
275W92.2Very high88.6Confident3 Ų353.6 Ų53.61%0.01127%0.274CS..Hα-helixtrans-73.1-37.1177.7-162.8-116.3000113.1M271 A272 Q273 D277 H278 L279 S286 S288 Y290M271-W275 PolarHBondContact O-N 2.95Å; A272-W275 PolarHBondContact O-N 3.4Å; Q273-W275 PolarHBondContact O-N 2.57Å; W275-D277 VanDerWaalsContact C-N 3.32Å; W275-D277 PolarHBondContact O-N 3.3Å; W275-H278 HydrophobicContact CE3-CB 4.22Å; W275-H278 AromaticContact CE3-CD2 3.9Å; W275-H278 AromaticContact CH2-CD2 3.34Å; W275-H278 WeakPolarHBondContact CH2-CD2 3.35Å; W275-H278 AromaticContact CH2-NE2 3.7Å; W275-H278 AromaticContact CZ2-CD2 3.87Å; W275-H278 HydrophobicContact CZ3-CB 4.43Å; W275-H278 AromaticContact CZ3-CD2 3.37Å; W275-H278 WeakPolarHBondContact CZ3-CD2 3.37Å; W275-H278 AromaticContact CZ3-CG 3.98Å; W275-H278 AromaticContact CZ3-NE2 3.96Å; W275-H278 PolarHBondContact O-N 3.07Å; W275-L279 VanDerWaalsContact CD1-CD1 3.5Å; W275-L279 HydrophobicContact CD2-CG 4.49Å; W275-L279 HydrophobicContact CG-CD1 4.41Å; W275-L279 HydrophobicContact CG-CG 4.41Å; W275-L279 HydrophobicContact CZ2-CD2 4.04Å; W275-L279 HydrophobicContact CZ2-CG 4.43Å; W275-L279 WeakPolarHBondContact O-CB 3.25Å; W275-L279 WeakPolarHBondContact O-CG 3.36Å; W275-L279 PolarHBondContact O-N 2.97Å; W275-S286 WeakPolarHBondContact CZ2-O 3.36Å; W275-S286 PolarHBondContact NE1-O 3.19Å; W275-S288 VanDerWaalsContact CD2-CB 3.47Å; W275-Y290 HydrophobicContact CB-CE2 3.76Å; W275-Y290 HydrophobicContact CG-CE2 4.32Å
276A94Very high88Confident0 Ų053.7 Ų53.70%028%0.276CS..Hα-helixtrans-59.2-45.6173.600000110.8A272 Q273 H278 L279 L280 A359 I376 V378A272-A276 WeakPolarHBondContact O-CB 3.48Å; A272-A276 PolarHBondContact O-N 2.83Å; Q273-A276 WeakPolarHBondContact O-CB 3.26Å; Q273-A276 PolarHBondContact O-N 2.98Å; Q273-A276 VanDerWaalsContact O-N 3.1Å; A276-H278 VanDerWaalsContact C-N 3.34Å; A276-H278 PolarHBondContact O-N 2.98Å; A276-L279 PolarHBondContact O-N 2.64Å; A276-L280 PolarHBondContact O-N 3.41Å; A276-A359 VanDerWaalsContact C-CB 3.4Å; A276-A359 HydrophobicContact CB-CB 3.72Å; A276-A359 WeakPolarHBondContact O-CB 3.27Å; A276-I376 HydrophobicContact CB-CB 4.48Å; A276-I376 HydrophobicContact CB-CG2 4.07Å; A276-V378 HydrophobicContact CB-CB 4.38Å; A276-V378 HydrophobicContact CB-CG2 3.79Å
277D89.6Confident87.7Confident78 Ų7849.6 Ų49.642%0.41726%0.258SS..Hα-helixtrans-62.7-40.9177.4-61.5-24.6000111.4Q273 W275 L280 A359Q273-D277 PolarHBondContact NE2-OD1 2.82Å; Q273-D277 VanDerWaalsContact O-CG 3.23Å; Q273-D277 PolarHBondContact O-N 3.47Å; W275-D277 VanDerWaalsContact C-N 3.32Å; W275-D277 PolarHBondContact O-N 3.3Å; D277-L280 WeakPolarHBondContact O-CB 3.39Å; D277-L280 PolarHBondContact O-N 3.25Å; D277-A359 WeakPolarHBondContact OD1-CB 3.25Å
278H86.6Confident87.5Confident46 Ų4644.9 Ų44.921%0.21323%0.233CC..Hα-helixtrans-63.2-49.6174.617872.7000112.1T174 Q274 W275 A276 L280 Q281T174-H278 PolarHBondContact OG1-CE1 2.94Å; Q274-H278 PolarHBondContact O-N 3.49Å; W275-H278 HydrophobicContact CE3-CB 4.22Å; W275-H278 AromaticContact CE3-CD2 3.9Å; W275-H278 AromaticContact CH2-CD2 3.34Å; W275-H278 WeakPolarHBondContact CH2-CD2 3.35Å; W275-H278 AromaticContact CH2-NE2 3.7Å; W275-H278 AromaticContact CZ2-CD2 3.87Å; W275-H278 HydrophobicContact CZ3-CB 4.43Å; W275-H278 AromaticContact CZ3-CD2 3.37Å; W275-H278 WeakPolarHBondContact CZ3-CD2 3.37Å; W275-H278 AromaticContact CZ3-CG 3.98Å; W275-H278 AromaticContact CZ3-NE2 3.96Å; W275-H278 PolarHBondContact O-N 3.07Å; A276-H278 VanDerWaalsContact C-N 3.34Å; A276-H278 PolarHBondContact O-N 2.98Å; H278-L280 PolarHBondContact O-N 3.43Å; H278-Q281 WeakPolarHBondContact O-CB 3.25Å; H278-Q281 PolarHBondContact O-N 2.9Å; H278-Q281 VanDerWaalsContact O-N 3.15Å
279L88.8Confident86.8Confident0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-65.6-24.9-179.9-73.4-179000113W275 A276 Q281 Q282 L285 L301 K374 I376 V378W275-L279 VanDerWaalsContact CD1-CD1 3.5Å; W275-L279 HydrophobicContact CD2-CG 4.49Å; W275-L279 HydrophobicContact CG-CD1 4.41Å; W275-L279 HydrophobicContact CG-CG 4.41Å; W275-L279 HydrophobicContact CZ2-CD2 4.04Å; W275-L279 HydrophobicContact CZ2-CG 4.43Å; W275-L279 WeakPolarHBondContact O-CB 3.25Å; W275-L279 WeakPolarHBondContact O-CG 3.36Å; W275-L279 PolarHBondContact O-N 2.97Å; A276-L279 PolarHBondContact O-N 2.64Å; L279-Q281 PolarHBondContact O-N 2.75Å; L279-Q282 HydrophobicContact CD2-CG 4.5Å; L279-Q282 PolarHBondContact O-N 3.32Å; L279-Q282 VanDerWaalsContact O-N 3.1Å; L279-L285 HydrophobicContact CD1-CD2 4.06Å; L279-L301 HydrophobicContact CD1-CD1 4.27Å; L279-L301 HydrophobicContact CD1-CD2 4.11Å; L279-K374 PolarHBondContact O-NZ 3.06Å; L279-I376 HydrophobicContact CB-CD1 4.42Å; L279-I376 HydrophobicContact CB-CG1 4.13Å; L279-I376 HydrophobicContact CB-CG2 3.96Å; L279-I376 HydrophobicContact CD1-CG2 4.08Å; L279-V378 HydrophobicContact CD1-CG2 4.07Å
280L88Confident86.2Confident32 Ų3245 Ų4517%0.16823%0.233CC..Hα-helixtrans-58.4-36.6174.4-165.870000111A276 D277 H278 A359 Q361 K374 I376A276-L280 PolarHBondContact O-N 3.41Å; D277-L280 WeakPolarHBondContact O-CB 3.39Å; D277-L280 PolarHBondContact O-N 3.25Å; H278-L280 PolarHBondContact O-N 3.43Å; L280-A359 HydrophobicContact CB-CB 4.18Å; L280-A359 HydrophobicContact CD1-CB 4.36Å; L280-A359 HydrophobicContact CD2-CB 4.14Å; L280-A359 HydrophobicContact CG-CB 4.48Å; L280-Q361 HydrophobicContact CD1-CB 4.14Å; L280-Q361 HydrophobicContact CD2-CB 4.06Å; L280-Q361 HydrophobicContact CG-CB 4.29Å; L280-K374 HydrophobicContact CD1-CB 4.17Å; L280-K374 HydrophobicContact CD1-CD 4.04Å; L280-K374 HydrophobicContact CD1-CG 4.11Å; L280-K374 WeakPolarHBondContact O-CD 3.33Å; L280-K374 PolarHBondContact O-NZ 2.9Å; L280-I376 HydrophobicContact CB-CG1 4.37Å; L280-I376 HydrophobicContact CD1-CG1 4.14Å
281Q85.2Confident85.4Confident164 Ų16441.8 Ų41.877%0.76622%0.216SC*.THydrogen-bonded Turntrans-81.4-14.5178-60-84.8-17.900113.7H278 L279H278-Q281 WeakPolarHBondContact O-CB 3.25Å; H278-Q281 PolarHBondContact O-N 2.9Å; H278-Q281 VanDerWaalsContact O-N 3.15Å; L279-Q281 PolarHBondContact O-N 2.75Å
282Q82Confident84.6Confident62 Ų6241.9 Ų41.929%0.2922%0.216SC..SBendtrans-89.2151.2-176-60.5-51.5-56.400112.8L279 H284 K374L279-Q282 HydrophobicContact CD2-CG 4.5Å; L279-Q282 PolarHBondContact O-N 3.32Å; L279-Q282 VanDerWaalsContact O-N 3.1Å; Q282-H284 VanDerWaalsContact C-N 3.33Å; Q282-K374 PolarHBondContact O-NZ 2.91Å
283S77.4Confident83.6Confident106 Ų10648.6 Ų48.674%0.74124%0.241SC*.SBendtrans-74.6-22.9174.858.50000113.5
284H81.5Confident81.8Confident99 Ų9947.2 Ų47.246%0.45824%0.238SC..SBendtrans-137.8154.7-176.260-77.5000111.2Q282Q282-H284 VanDerWaalsContact C-N 3.33Å
285L86.4Confident80.9Confident63 Ų6343 Ų4333%0.3322%0.218SC..  trans-77.4137.6173.9-61-179.1000110.2L279 L301 I376L279-L285 HydrophobicContact CD1-CD2 4.06Å; L285-L301 HydrophobicContact CB-CD1 4.43Å; L285-L301 HydrophobicContact CD1-CB 4.12Å; L285-I376 HydrophobicContact CD2-CD1 3.71Å
286S83.3Confident80.1Confident20 Ų2043.8 Ų43.814%0.1422%0.222CC..  trans-143.6147.7174.5590000110.6R206 W275 L301R206-S286 PolarHBondContact NH2-OG 2.75Å; W275-S286 WeakPolarHBondContact CZ2-O 3.36Å; W275-S286 PolarHBondContact NE1-O 3.19Å; S286-L301 VanDerWaalsContact C-CD1 3.48Å; S286-L301 WeakPolarHBondContact O-CD1 3.36Å
287N83.4Confident79.7Confident28 Ų2844 Ų4415%0.1522%0.223CC..  trans-69.3130.7-178.8-64.7-31.8000111.5R142 E145 R206 G289 E299R142-N287 PolarHBondContact NE-ND2 2.86Å; R142-N287 VanDerWaalsContact NE-ND2 3.2Å; R142-N287 PolarHBondContact NH2-ND2 2.86Å; R142-N287 VanDerWaalsContact NH2-ND2 3.14Å; R142-N287 PolarHBondContact NH2-OD1 2.84Å; E145-N287 PolarHBondContact OE2-ND2 3.26Å; R206-N287 PolarHBondContact NH1-O 2.75Å; N287-G289 PolarHBondContact O-N 2.86Å; N287-E299 WeakPolarHBondContact CB-OE1 3.46Å
288S83.1Confident79.8Confident0 Ų040.5 Ų40.50%021%0.205CC..  trans-53.6-32.8-178.162.50000114.6W275 Y290 E299W275-S288 VanDerWaalsContact CD2-CB 3.47Å; S288-Y290 PolarHBondContact O-N 3.08Å; S288-Y290 WeakPolarHBondContact OG-CB 3.38Å; S288-Y290 WeakPolarHBondContact OG-CD2 3.27Å; S288-Y290 PolarHBondContact OG-N 3.29Å; S288-E299 VanDerWaalsContact CB-OE2 3.28Å; S288-E299 WeakPolarHBondContact CB-OE2 3.29Å; S288-E299 PolarHBondContact N-OE1 3.08Å; S288-E299 PolarHBondContact N-OE2 2.79Å; S288-E299 PolarHBondContact OG-OE1 3.37Å; S288-E299 PolarHBondContact OG-OE2 2.84Å
289G73Confident80.2Confident4 Ų438.9 Ų38.94%0.04120%0.198CC..  trans70.516.1-171.500000112.8I208 N287 E299I208-G289 WeakPolarHBondContact CD1-O 3.19Å; N287-G289 PolarHBondContact O-N 2.86Å; G289-E299 PolarHBondContact N-OE1 3.43Å
290Y81.4Confident80.6Confident5 Ų538.9 Ų38.92%0.0220%0.198CC..  trans-62.8149.7177.9-77.1-36.5000113.3I176 M271 W275 S288 K296 V297 L380I176-Y290 HydrophobicContact CD1-CD1 4.46Å; I176-Y290 HydrophobicContact CD1-CE1 3.35Å; I176-Y290 WeakPolarHBondContact CD1-OH 3.5Å; I176-Y290 HydrophobicContact CG2-CE1 4.3Å; M271-Y290 HydrophobicContact CB-CD2 3.97Å; M271-Y290 HydrophobicContact CB-CE2 3.85Å; M271-Y290 HydrophobicContact CE-CD1 3.83Å; M271-Y290 HydrophobicContact CE-CD2 4.01Å; M271-Y290 HydrophobicContact CE-CG 3.55Å; M271-Y290 VanDerWaalsContact O-CE2 3.23Å; M271-Y290 WeakPolarHBondContact O-CE2 3.46Å; W275-Y290 HydrophobicContact CB-CE2 3.76Å; W275-Y290 HydrophobicContact CG-CE2 4.32Å; S288-Y290 PolarHBondContact O-N 3.08Å; S288-Y290 WeakPolarHBondContact OG-CB 3.38Å; S288-Y290 WeakPolarHBondContact OG-CD2 3.27Å; S288-Y290 PolarHBondContact OG-N 3.29Å; Y290-K296 WeakPolarHBondContact O-CA 3.36Å; Y290-V297 PolarHBondContact O-N 2.86Å; Y290-L380 HydrophobicContact CD2-CD1 3.76Å; Y290-L380 HydrophobicContact CE2-CD1 4.31Å
291V70.9Confident81Confident6 Ų638.4 Ų38.44%0.03620%0.195CC..EExtended strand (participates in β ladder)trans-121.1131.2172.4179.50000107.4P135 M295P135-V291 HydrophobicContact CG-CG1 4.27Å; P135-V291 HydrophobicContact CG-CG2 3.61Å; V291-M295 CarbonylContact C-O 3.59Å; V291-M295 VanDerWaalsContact CA-O 3.27Å; V291-M295 WeakPolarHBondContact CA-O 3.38Å
292Y73.1Confident81.6Confident21 Ų2130.8 Ų30.88%0.08216%0.161CC..EExtended strand (participates in β ladder)trans-129.6128.8175.4-179.1-114.3000108.5D265 N267 L268 M271 G294 M295 H382D265-Y292 VanDerWaalsContact CG-OH 3.24Å; D265-Y292 PolarHBondContact OD1-OH 3.06Å; D265-Y292 PolarHBondContact OD2-OH 2.78Å; N267-Y292 HydrophobicContact CB-CE2 3.87Å; L268-Y292 HydrophobicContact CD1-CD1 3.66Å; L268-Y292 HydrophobicContact CD1-CE1 3.66Å; L268-Y292 HydrophobicContact CD1-CG 4.41Å; L268-Y292 HydrophobicContact CD2-CD1 3.61Å; L268-Y292 HydrophobicContact CD2-CD2 4.13Å; L268-Y292 HydrophobicContact CD2-CE1 4.27Å; L268-Y292 HydrophobicContact CD2-CG 3.53Å; L268-Y292 HydrophobicContact CG-CD1 3.55Å; L268-Y292 HydrophobicContact CG-CD2 4.16Å; L268-Y292 HydrophobicContact CG-CE1 3.67Å; L268-Y292 HydrophobicContact CG-CE2 4.3Å; L268-Y292 HydrophobicContact CG-CG 3.8Å; M271-Y292 HydrophobicContact SD-CD2 4.13Å; Y292-G294 PolarHBondContact O-N 3.29Å; Y292-M295 PolarHBondContact N-O 2.8Å; Y292-M295 PolarHBondContact O-N 2.86Å; Y292-M295 VanDerWaalsContact O-O 3.09Å; Y292-H382 HydrophobicContact CD1-CB 3.86Å; Y292-H382 AromaticContact CD1-CD2 3.57Å; Y292-H382 AromaticContact CD1-CG 3.71Å; Y292-H382 HydrophobicContact CE1-CB 4.4Å; Y292-H382 PolarHBondContact O-CD2 2.86Å; Y292-H382 VanDerWaalsContact O-CD2 3.26Å; Y292-H382 PolarHBondContact O-NE2 2.82Å
293R73Confident82.1Confident141 Ų14129.9 Ų29.953%0.53216%0.161SC..THydrogen-bonded Turntrans49.242.2-176-56.4176.8176.5-141.3-3113.2M295R293-M295 VanDerWaalsContact C-N 3.27Å; R293-M295 PolarHBondContact O-N 2.77Å
294G57.3Low82.7Confident12 Ų1228.6 Ų28.612%0.12414%0.14CC..THydrogen-bonded Turntrans78.5-1.1179.200000115.2R134 Y292R134-G294 VanDerWaalsContact CB-O 3.26Å; R134-G294 WeakPolarHBondContact CB-O 3.46Å; Y292-G294 PolarHBondContact O-N 3.29Å
295M68.7Low83Confident13 Ų1330.5 Ų30.56%0.06414%0.143CC..EExtended strand (participates in β ladder)trans-117.7144.2179.3-63.3-170.3-72.100111.7E60 V291 Y292 R293 V297 H382 P383E60-M295 WeakPolarHBondContact CA-SD 3.06Å; E60-M295 HydrophobicContact CB-SD 4.1Å; E60-M295 HydrophobicContact CG-SD 4.37Å; E60-M295 VanDerWaalsContact O-SD 3.37Å; V291-M295 CarbonylContact C-O 3.59Å; V291-M295 VanDerWaalsContact CA-O 3.27Å; V291-M295 WeakPolarHBondContact CA-O 3.38Å; Y292-M295 PolarHBondContact N-O 2.8Å; Y292-M295 PolarHBondContact O-N 2.86Å; Y292-M295 VanDerWaalsContact O-O 3.09Å; R293-M295 VanDerWaalsContact C-N 3.27Å; R293-M295 PolarHBondContact O-N 2.77Å; M295-V297 PolarHBondContact O-N 2.77Å; M295-H382 WeakPolarHBondContact CE-CE1 3.4Å; M295-H382 WeakPolarHBondContact CE-NE2 3.41Å; M295-P383 HydrophobicContact CE-CB 3.88Å; M295-P383 HydrophobicContact CE-CG 3.89Å; M295-P383 HydrophobicContact SD-CB 4.44Å
296K75Confident82.9Confident20 Ų2029.7 Ų29.79%0.08714%0.143CC..EExtended strand (participates in β ladder)trans-62.2135.3170.7-177.1172.4-178.31740106.3S112 P135 E145 Y290 P384S112-K296 PolarHBondContact OG-NZ 3.15Å; P135-K296 HydrophobicContact CB-CB 3.4Å; P135-K296 VanDerWaalsContact CB-CB 3.4Å; P135-K296 HydrophobicContact CG-CB 3.65Å; E145-K296 IonicContact OE1-NZ 2.82Å; E145-K296 PolarHBondContact OE1-NZ 3.15Å; Y290-K296 WeakPolarHBondContact O-CA 3.36Å; K296-P384 VanDerWaalsContact O-CB 3.27Å; K296-P384 WeakPolarHBondContact O-CB 3.21Å; K296-P384 WeakPolarHBondContact O-CD 3.46Å; K296-P384 WeakPolarHBondContact O-CG 3.43Å
297V85.7Confident82.7Confident4 Ų435.2 Ų35.22%0.02417%0.171CC..PPolyproline II helixtrans-69.9146.5176.6-640000109.7L268 Y290 M295 E299 L380 Y381L268-V297 HydrophobicContact CD2-CG1 3.53Å; Y290-V297 PolarHBondContact O-N 2.86Å; M295-V297 PolarHBondContact O-N 2.77Å; V297-E299 HydrophobicContact CG2-CG 3.8Å; V297-L380 HydrophobicContact CB-CB 4.2Å; V297-L380 HydrophobicContact CG2-CB 4.3Å; V297-L380 HydrophobicContact CG2-CD1 4.35Å; V297-L380 HydrophobicContact CG2-CD2 3.85Å; V297-L380 HydrophobicContact CG2-CG 4.38Å; V297-Y381 CarbonylContact C-O 3.59Å; V297-Y381 WeakPolarHBondContact CA-O 3.34Å
298G91.5Very high82.6Confident4 Ų434.2 Ų34.24%0.04117%0.167CC..EExtended strand (participates in β ladder)trans-66149159.300000108.3Q345 L380 Y381G298-Q345 VanDerWaalsContact CA-OE1 3.32Å; G298-L380 CarbonylContact O-C 3.54Å; G298-L380 VanDerWaalsContact O-CA 3.26Å; G298-L380 WeakPolarHBondContact O-CA 3.41Å; G298-Y381 PolarHBondContact N-O 2.89Å; G298-Y381 WeakPolarHBondContact O-CD2 3.25Å; G298-Y381 PolarHBondContact O-N 3.38Å
299E94.8Very high82.7Confident12 Ų1238 Ų386%0.05619%0.192CC..EExtended strand (participates in β ladder)trans-139.9124.8-176-58.1-171.3-111.200110.8N287 S288 G289 V297 C379 L380N287-E299 WeakPolarHBondContact CB-OE1 3.46Å; S288-E299 VanDerWaalsContact CB-OE2 3.28Å; S288-E299 WeakPolarHBondContact CB-OE2 3.29Å; S288-E299 PolarHBondContact N-OE1 3.08Å; S288-E299 PolarHBondContact N-OE2 2.79Å; S288-E299 PolarHBondContact OG-OE1 3.37Å; S288-E299 PolarHBondContact OG-OE2 2.84Å; G289-E299 PolarHBondContact N-OE1 3.43Å; V297-E299 HydrophobicContact CG2-CG 3.8Å; E299-C379 WeakPolarHBondContact CA-O 3.42Å; E299-L380 HydrophobicContact CB-CD2 4.43Å; E299-L380 HydrophobicContact CG-CD2 3.75Å
300N98.3Very high83.3Confident1 Ų138.9 Ų38.91%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-114.3127.8161.9-71.60.5000108W321 N342 Q345 C379 Y381N300-W321 HydrophobicContact CB-CD2 4.21Å; N300-W321 HydrophobicContact CB-CE3 3.95Å; N300-W321 HydrophobicContact CB-CH2 3.56Å; N300-W321 HydrophobicContact CB-CZ2 3.85Å; N300-W321 HydrophobicContact CB-CZ3 3.62Å; N300-N342 PolarHBondContact ND2-O 3.45Å; N300-N342 PolarHBondContact OD1-OD1 3.29Å; N300-Q345 WeakPolarHBondContact OD1-CB 3.26Å; N300-Q345 WeakPolarHBondContact OD1-CG 3.44Å; N300-C379 HydrophobicContact CB-CB 4.39Å; N300-C379 PolarHBondContact N-O 3.39Å; N300-C379 PolarHBondContact O-N 3.33Å; N300-Y381 HydrophobicContact CB-CE2 3.91Å; N300-Y381 PolarHBondContact ND2-OH 2.88Å; N300-Y381 VanDerWaalsContact ND2-OH 3.13Å
301L96.9Very high83.5Confident22 Ų2246.2 Ų46.212%0.11523%0.23CC..EExtended strand (participates in β ladder)trans-122.4130.7-176.5-54177.8000109.2L279 L285 S286 W321 V378L279-L301 HydrophobicContact CD1-CD1 4.27Å; L279-L301 HydrophobicContact CD1-CD2 4.11Å; L285-L301 HydrophobicContact CB-CD1 4.43Å; L285-L301 HydrophobicContact CD1-CB 4.12Å; S286-L301 VanDerWaalsContact C-CD1 3.48Å; S286-L301 WeakPolarHBondContact O-CD1 3.36Å; L301-W321 VanDerWaalsContact C-CZ2 3.45Å; L301-V378 HydrophobicContact CD2-CB 4.23Å; L301-V378 HydrophobicContact CD2-CG1 3.85Å; L301-V378 HydrophobicContact CD2-CG2 3.85Å
302G96Very high84.3Confident4 Ų448.1 Ų48.14%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-135.3141.9-175.400000109.7I376 L377G302-I376 WeakPolarHBondContact O-CA 3.45Å; G302-L377 PolarHBondContact N-O 3.13Å; G302-L377 PolarHBondContact O-N 2.91Å
303S94Very high84.9Confident42 Ų4250.3 Ų50.329%0.29425%0.252SS..EExtended strand (participates in β ladder)trans-136.1148.5173.560.50000112M375S303-M375 CarbonylContact C-O 3.5Å; S303-M375 WeakPolarHBondContact CA-O 2.96Å
304R89.5Confident85.9Confident80 Ų8043.8 Ų43.830%0.30223%0.229SC..EExtended strand (participates in β ladder)trans-128.3145.1171.2-64.6174.169.2155.916108.6M310 N313 D316 L317 K374 M375R304-M310 HydrophobicContact CB-CE 4.21Å; R304-M310 HydrophobicContact CB-SD 4.45Å; R304-N313 PolarHBondContact NH1-O 3.16Å; R304-D316 IonicContact CZ-OD2 3.96Å; R304-D316 VanDerWaalsContact CZ-OD2 3.25Å; R304-D316 IonicContact NH1-OD2 3.35Å; R304-D316 PolarHBondContact NH1-OD2 3.47Å; R304-D316 IonicContact NH2-OD2 2.75Å; R304-D316 PolarHBondContact NH2-OD2 2.94Å; R304-L317 HydrophobicContact CG-CD1 4.09Å; R304-L317 HydrophobicContact CG-CD2 3.84Å; R304-L317 HydrophobicContact CG-CG 3.95Å; R304-K374 WeakPolarHBondContact O-CA 3.13Å; R304-M375 HydrophobicContact CB-CB 4.45Å; R304-M375 PolarHBondContact N-O 2.98Å; R304-M375 PolarHBondContact O-N 3.36Å
305W88.2Confident87.7Confident138 Ų13847.9 Ų47.952%0.52324%0.243SC..EExtended strand (participates in β ladder)trans-125.2146.7173.7-61.386.3000109.2D372 S373 K374W305-D372 HydrophobicContact CE3-CB 3.9Å; W305-D372 HydrophobicContact CZ3-CB 4.39Å; W305-S373 CarbonylContact C-O 3.43Å; W305-S373 VanDerWaalsContact CA-O 3.25Å; W305-S373 WeakPolarHBondContact CA-O 3.39Å; W305-K374 HydrophobicContact CD2-CB 4.27Å; W305-K374 HydrophobicContact CD2-CD 4.45Å; W305-K374 HydrophobicContact CD2-CG 3.97Å; W305-K374 HydrophobicContact CE3-CB 3.82Å; W305-K374 HydrophobicContact CE3-CD 4.24Å; W305-K374 HydrophobicContact CE3-CG 3.93Å; W305-K374 HydrophobicContact CH2-CB 4.4Å; W305-K374 HydrophobicContact CH2-CD 3.37Å; W305-K374 HydrophobicContact CH2-CG 3.96Å; W305-K374 HydrophobicContact CZ2-CD 3.55Å; W305-K374 HydrophobicContact CZ2-CG 3.94Å; W305-K374 HydrophobicContact CZ3-CB 3.89Å; W305-K374 HydrophobicContact CZ3-CD 3.72Å; W305-K374 HydrophobicContact CZ3-CG 3.93Å
306S83.9Confident88.9Confident46 Ų4650.9 Ų50.932%0.32226%0.259SS..EExtended strand (participates in β ladder)trans-152.5143.9177.5-178.40000110.5G308 S373S306-G308 PolarHBondContact O-N 3.48Å; S306-G308 VanDerWaalsContact O-N 3.11Å; S306-S373 PolarHBondContact N-O 2.96Å; S306-S373 WeakPolarHBondContact O-CB 3.18Å; S306-S373 PolarHBondContact O-N 3.04Å
307N79.8Confident89.9Confident137 Ų13750.8 Ų50.873%0.73326%0.26SS*.SBendtrans-85.428.9-179.9-58.17.5000112.1D372N307-D372 PolarHBondContact OD1-OD1 3.47Å
308G81.2Confident90.5Very high7 Ų750.6 Ų50.67%0.07226%0.259CS..SBendtrans-173.1-169-175.800000111.5S306 M310 Y363 S373S306-G308 PolarHBondContact O-N 3.48Å; S306-G308 VanDerWaalsContact O-N 3.11Å; G308-M310 PolarHBondContact O-N 3.27Å; G308-Y363 CarbonylContact C-O 3.24Å; G308-Y363 VanDerWaalsContact C-O 3.24Å; G308-S373 WeakPolarHBondContact O-CB 3.41Å; G308-S373 PolarHBondContact O-OG 2.8Å
309P83.9Confident90.8Very high80 Ų8053.2 Ų53.252%0.51927%0.27SS..  trans-53.1140.2-177.9-25.632.4000112S362 Y363 S365P309-S362 WeakPolarHBondContact CA-OG 3.49Å; P309-Y363 WeakPolarHBondContact CA-O 3.27Å; P309-Y363 VanDerWaalsContact N-O 3.11Å; P309-S365 VanDerWaalsContact CD-OG 3.23Å; P309-S365 WeakPolarHBondContact CD-OG 3.46Å
310M85.7Confident90.9Very high22 Ų2258.2 Ų58.211%0.10829%0.293CS..  trans-120.3129-178.9-174.2173.1-70.400110.4R304 G308 I360 S362 S373 M375R304-M310 HydrophobicContact CB-CE 4.21Å; R304-M310 HydrophobicContact CB-SD 4.45Å; G308-M310 PolarHBondContact O-N 3.27Å; M310-I360 HydrophobicContact CB-CD1 4.04Å; M310-I360 HydrophobicContact CG-CD1 3.87Å; M310-I360 HydrophobicContact CG-CG1 4.49Å; M310-I360 WeakPolarHBondContact O-CD1 3.38Å; M310-I360 HydrophobicContact SD-CD1 4.3Å; M310-I360 HydrophobicContact SD-CG1 4.37Å; M310-S362 PolarHBondContact N-OG 3.03Å; M310-S373 WeakPolarHBondContact CE-O 3.48Å; M310-M375 HydrophobicContact CG-CE 4.31Å; M310-M375 HydrophobicContact SD-CB 3.34Å; M310-M375 WeakPolarHBondContact SD-CB 3.37Å; M310-M375 HydrophobicContact SD-CE 4.33Å; M310-M375 PolarHBondContact SD-N 3.01Å; M310-M375 VanDerWaalsContact SD-N 3.4Å
311E86.8Confident90.9Very high158 Ų15858.6 Ų58.674%0.73829%0.294SS*.  trans-84.4148.8175.6-65.5-171.2164.100111.5N313 M375E311-N313 VanDerWaalsContact C-N 3.28Å; E311-N313 PolarHBondContact O-N 3.24Å; E311-M375 WeakPolarHBondContact O-CE 3.34Å
312L86.7Confident91Very high47 Ų4759.1 Ų59.125%0.24630%0.295CS..  trans-79.675175.9-164.668000110.5K238 L239 S242 I358 I360 M375K238-L312 HydrophobicContact CB-CD2 4.36Å; L239-L312 HydrophobicContact CB-CD2 4.12Å; L239-L312 HydrophobicContact CD1-CD2 4.16Å; S242-L312 WeakPolarHBondContact OG-CG 3.39Å; S242-L312 PolarHBondContact OG-O 3.46Å; S242-L312 VanDerWaalsContact OG-O 3.13Å; L312-I358 HydrophobicContact CD1-CB 4.46Å; L312-I358 HydrophobicContact CD1-CG2 3.53Å; L312-I360 HydrophobicContact CD1-CB 4.43Å; L312-I360 HydrophobicContact CD1-CD1 4.41Å; L312-I360 HydrophobicContact CD1-CG2 4.16Å; L312-M375 HydrophobicContact CD1-CE 4.33Å
313N86.7Confident91.1Very high66 Ų6665.1 Ų65.135%0.35332%0.322SS..  trans-136.1119.3175.9-175.4-8.9000111.3R304 E311 K315R304-N313 PolarHBondContact NH1-O 3.16Å; E311-N313 VanDerWaalsContact C-N 3.28Å; E311-N313 PolarHBondContact O-N 3.24Å; N313-K315 WeakPolarHBondContact OD1-CB 3.45Å; N313-K315 PolarHBondContact OD1-N 3.19Å
314C93.4Very high91.3Very high5 Ų564 Ų643%0.03431%0.312CS..  trans-99.9-1.7-176.2-65.80000114.1V246 D316 L317 I318 L377V246-C314 HydrophobicContact CG2-CB 3.7Å; C314-D316 PolarHBondContact O-N 3.02Å; C314-L317 WeakPolarHBondContact O-CB 3.44Å; C314-L317 PolarHBondContact O-N 3.39Å; C314-I318 HydrophobicContact CB-CD1 4.49Å; C314-I318 PolarHBondContact O-N 3.47Å; C314-L377 HydrophobicContact CB-CD1 4.39Å; C314-L377 HydrophobicContact CB-CD2 3.96Å
315K94.7Very high91.6Very high97 Ų9761.5 Ų61.542%0.42231%0.307SS..Hα-helixtrans-54.1-51.1-174.5179.6175.2170.7-1770112.1L249 N313 L317 I318 E319L249-K315 HydrophobicContact CD2-CG 4.05Å; N313-K315 WeakPolarHBondContact OD1-CB 3.45Å; N313-K315 PolarHBondContact OD1-N 3.19Å; K315-L317 VanDerWaalsContact C-N 3.26Å; K315-L317 PolarHBondContact O-N 2.9Å; K315-I318 PolarHBondContact O-N 3.24Å; K315-I318 VanDerWaalsContact O-N 3.08Å; K315-E319 WeakPolarHBondContact CE-OE1 3.24Å; K315-E319 HydrophobicContact CG-CG 4.13Å; K315-E319 IonicContact NZ-OE1 2.78Å; K315-E319 WeakPolarHBondContact O-CG 3.27Å; K315-E319 PolarHBondContact O-N 3.14Å
316D93.7Very high91.9Very high77 Ų7758.5 Ų58.541%0.41232%0.318SS..Hα-helixtrans-58.8-35.8-178-52.3-28.4000112.7R304 C314 H320R304-D316 IonicContact CZ-OD2 3.96Å; R304-D316 VanDerWaalsContact CZ-OD2 3.25Å; R304-D316 IonicContact NH1-OD2 3.35Å; R304-D316 PolarHBondContact NH1-OD2 3.47Å; R304-D316 IonicContact NH2-OD2 2.75Å; R304-D316 PolarHBondContact NH2-OD2 2.94Å; C314-D316 PolarHBondContact O-N 3.02Å; D316-H320 VanDerWaalsContact O-CB 3.24Å; D316-H320 WeakPolarHBondContact O-CB 3.46Å; D316-H320 PolarHBondContact O-N 2.93Å
317L97.1Very high92.4Very high17 Ų1763.4 Ų63.49%0.08933%0.334CS..Hα-helixtrans-66.2-43.4177.6-73.2173.4000111.3R304 C314 K315 H320 W321 M375 L377R304-L317 HydrophobicContact CG-CD1 4.09Å; R304-L317 HydrophobicContact CG-CD2 3.84Å; R304-L317 HydrophobicContact CG-CG 3.95Å; C314-L317 WeakPolarHBondContact O-CB 3.44Å; C314-L317 PolarHBondContact O-N 3.39Å; K315-L317 VanDerWaalsContact C-N 3.26Å; K315-L317 PolarHBondContact O-N 2.9Å; L317-H320 PolarHBondContact O-N 3.46Å; L317-W321 PolarHBondContact O-N 3.16Å; L317-M375 HydrophobicContact CD1-SD 4.47Å; L317-L377 HydrophobicContact CB-CD2 4.17Å; L317-L377 HydrophobicContact CD1-CB 3.77Å; L317-L377 HydrophobicContact CD1-CD2 4.19Å
318I98.2Very high93.1Very high1 Ų157.5 Ų57.51%0.00530%0.301CS..Hα-helixtrans-72.7-39-179.4-57.2163.9000110.3V246 L249 Y253 C314 K315 H320 W321 Y322 I346 L377V246-I318 HydrophobicContact CB-CD1 3.98Å; V246-I318 HydrophobicContact CG1-CD1 3.82Å; V246-I318 HydrophobicContact CG2-CD1 3.91Å; L249-I318 HydrophobicContact CB-CD1 4.45Å; L249-I318 HydrophobicContact CD2-CB 3.73Å; L249-I318 HydrophobicContact CD2-CD1 3.99Å; L249-I318 HydrophobicContact CD2-CG1 4.49Å; L249-I318 HydrophobicContact CD2-CG2 3.75Å; L249-I318 HydrophobicContact CG-CB 4.4Å; L249-I318 HydrophobicContact CG-CG2 3.84Å; Y253-I318 HydrophobicContact CD2-CG2 4.34Å; Y253-I318 HydrophobicContact CE2-CG2 4.08Å; C314-I318 HydrophobicContact CB-CD1 4.49Å; C314-I318 PolarHBondContact O-N 3.47Å; K315-I318 PolarHBondContact O-N 3.24Å; K315-I318 VanDerWaalsContact O-N 3.08Å; I318-H320 VanDerWaalsContact C-N 3.33Å; I318-W321 HydrophobicContact CG1-CE3 4.24Å; I318-W321 HydrophobicContact CG1-CZ3 4.25Å; I318-W321 WeakPolarHBondContact O-CB 3.28Å; I318-W321 PolarHBondContact O-N 3.19Å; I318-Y322 WeakPolarHBondContact O-CB 3.1Å; I318-Y322 PolarHBondContact O-N 2.7Å; I318-I346 HydrophobicContact CG2-CD1 4.39Å; I318-L377 HydrophobicContact CG1-CD2 4.05Å
319E98Very high93.7Very high58 Ų5865 Ų6527%0.27133%0.332SS..Hα-helixtrans-61.2-43.4173-72-173.416000110.9K315 W321 Y322 Q323K315-E319 WeakPolarHBondContact CE-OE1 3.24Å; K315-E319 HydrophobicContact CG-CG 4.13Å; K315-E319 IonicContact NZ-OE1 2.78Å; K315-E319 WeakPolarHBondContact O-CG 3.27Å; K315-E319 PolarHBondContact O-N 3.14Å; E319-W321 PolarHBondContact O-N 2.98Å; E319-Y322 PolarHBondContact O-N 2.86Å; E319-Q323 VanDerWaalsContact O-CG 3.27Å; E319-Q323 WeakPolarHBondContact O-CG 3.41Å; E319-Q323 PolarHBondContact O-N 2.83Å
320H97.3Very high94.1Very high118 Ų11863.8 Ų63.855%0.54632%0.319SS..Hα-helixtrans-60.8-43.6175.1-173.970.9000112.2D316 L317 I318 Y322 Q323D316-H320 VanDerWaalsContact O-CB 3.24Å; D316-H320 WeakPolarHBondContact O-CB 3.46Å; D316-H320 PolarHBondContact O-N 2.93Å; L317-H320 PolarHBondContact O-N 3.46Å; I318-H320 VanDerWaalsContact C-N 3.33Å; H320-Y322 PolarHBondContact O-N 2.94Å; H320-Q323 PolarHBondContact O-N 2.88Å
321W98.4Very high94.3Very high8 Ų867.7 Ų67.73%0.0334%0.34CS..Hα-helixtrans-60.3-43.7173.1-68.4-17.7000112.3N300 L301 L317 I318 E319 Q323 E324 N342 F343 I346 L377 C379N300-W321 HydrophobicContact CB-CD2 4.21Å; N300-W321 HydrophobicContact CB-CE3 3.95Å; N300-W321 HydrophobicContact CB-CH2 3.56Å; N300-W321 HydrophobicContact CB-CZ2 3.85Å; N300-W321 HydrophobicContact CB-CZ3 3.62Å; L301-W321 VanDerWaalsContact C-CZ2 3.45Å; L317-W321 PolarHBondContact O-N 3.16Å; I318-W321 HydrophobicContact CG1-CE3 4.24Å; I318-W321 HydrophobicContact CG1-CZ3 4.25Å; I318-W321 WeakPolarHBondContact O-CB 3.28Å; I318-W321 PolarHBondContact O-N 3.19Å; E319-W321 PolarHBondContact O-N 2.98Å; W321-Q323 VanDerWaalsContact C-N 3.35Å; W321-Q323 PolarHBondContact O-N 2.86Å; W321-E324 VanDerWaalsContact O-CB 3.23Å; W321-E324 WeakPolarHBondContact O-CB 3.41Å; W321-E324 VanDerWaalsContact O-CG 3.32Å; W321-E324 WeakPolarHBondContact O-CG 3.37Å; W321-E324 PolarHBondContact O-N 2.78Å; W321-N342 HydrophobicContact CB-CB 3.53Å; W321-N342 VanDerWaalsContact CD1-CG 3.44Å; W321-N342 HydrophobicContact CD2-CB 4.12Å; W321-N342 HydrophobicContact CG-CB 3.45Å; W321-N342 VanDerWaalsContact CG-CB 3.45Å; W321-F343 WeakPolarHBondContact O-CB 3.32Å; W321-F343 PolarHBondContact O-N 3.08Å; W321-I346 HydrophobicContact CB-CD1 3.68Å; W321-I346 HydrophobicContact CE3-CD1 4.23Å; W321-L377 HydrophobicContact CH2-CD2 3.54Å; W321-L377 HydrophobicContact CH2-CG 3.93Å; W321-L377 HydrophobicContact CZ2-CD2 4.29Å; W321-L377 HydrophobicContact CZ3-CD2 3.87Å; W321-C379 HydrophobicContact CZ3-CB 4.38Å
322Y98.3Very high94.4Very high34 Ų3462 Ų6213%0.13332%0.318CS..Hα-helixtrans-69.3-31.7-179.3-174.2-99.8000112.9Y253 Q256 H257 I318 E319 H320 E324 S325 F343 V347Y253-Y322 AromaticContact CD1-CD1 3.62Å; Y253-Y322 HydrophobicContact CD1-CD1 3.62Å; Y253-Y322 AromaticContact CD1-CD2 3.44Å; Y253-Y322 HydrophobicContact CD1-CD2 3.44Å; Y253-Y322 VanDerWaalsContact CD1-CD2 3.44Å; Y253-Y322 AromaticContact CD1-CE1 3.57Å; Y253-Y322 HydrophobicContact CD1-CE1 3.57Å; Y253-Y322 AromaticContact CD1-CE2 3.41Å; Y253-Y322 HydrophobicContact CD1-CE2 3.41Å; Y253-Y322 VanDerWaalsContact CD1-CE2 3.41Å; Y253-Y322 AromaticContact CD1-CG 3.55Å; Y253-Y322 HydrophobicContact CD1-CG 3.55Å; Y253-Y322 AromaticContact CD1-CZ 3.47Å; Y253-Y322 VanDerWaalsContact CD1-CZ 3.47Å; Y253-Y322 AromaticContact CD2-CD2 3.78Å; Y253-Y322 HydrophobicContact CD2-CD2 3.78Å; Y253-Y322 HydrophobicContact CD2-CE2 4.46Å; Y253-Y322 AromaticContact CD2-CG 3.87Å; Y253-Y322 HydrophobicContact CD2-CG 3.87Å; Y253-Y322 AromaticContact CE1-CD1 3.28Å; Y253-Y322 HydrophobicContact CE1-CD1 3.28Å; Y253-Y322 AromaticContact CE1-CD2 3.94Å; Y253-Y322 HydrophobicContact CE1-CD2 3.94Å; Y253-Y322 AromaticContact CE1-CE1 3.51Å; Y253-Y322 HydrophobicContact CE1-CE1 3.51Å; Y253-Y322 HydrophobicContact CE1-CE2 4.14Å; Y253-Y322 AromaticContact CE1-CG 3.51Å; Y253-Y322 HydrophobicContact CE1-CG 3.51Å; Y253-Y322 AromaticContact CE1-CZ 3.94Å; Y253-Y322 HydrophobicContact CE2-CD1 4.33Å; Y253-Y322 HydrophobicContact CE2-CD2 4.21Å; Y253-Y322 AromaticContact CE2-CG 3.8Å; Y253-Y322 HydrophobicContact CE2-CG 3.8Å; Y253-Y322 HydrophobicContact CG-CD1 4.3Å; Y253-Y322 AromaticContact CG-CD2 3.36Å; Y253-Y322 HydrophobicContact CG-CD2 3.36Å; Y253-Y322 HydrophobicContact CG-CE1 4.48Å; Y253-Y322 AromaticContact CG-CE2 3.61Å; Y253-Y322 HydrophobicContact CG-CE2 3.61Å; Y253-Y322 AromaticContact CG-CG 3.75Å; Y253-Y322 HydrophobicContact CG-CG 3.75Å; Y253-Y322 AromaticContact CZ-CD1 3.67Å; Y253-Y322 AromaticContact CZ-CG 3.62Å; Q256-Y322 PolarHBondContact OE1-OH 2.97Å; Q256-Y322 VanDerWaalsContact OE1-OH 3.13Å; H257-Y322 AromaticContact NE2-CE2 3.58Å; H257-Y322 AromaticContact NE2-CZ 3.62Å; H257-Y322 PolarHBondContact NE2-OH 2.85Å; I318-Y322 WeakPolarHBondContact O-CB 3.1Å; I318-Y322 PolarHBondContact O-N 2.7Å; E319-Y322 PolarHBondContact O-N 2.86Å; H320-Y322 PolarHBondContact O-N 2.94Å; Y322-E324 PolarHBondContact O-N 2.65Å; Y322-E324 VanDerWaalsContact O-N 3.12Å; Y322-S325 WeakPolarHBondContact O-CB 3.32Å; Y322-S325 PolarHBondContact O-N 2.86Å; Y322-S325 PolarHBondContact O-OG 3.34Å; Y322-F343 AromaticContact CD2-CD2 3.85Å; Y322-F343 HydrophobicContact CD2-CD2 3.85Å; Y322-F343 HydrophobicContact CD2-CE2 4.19Å; Y322-F343 AromaticContact CE2-CD2 3.98Å; Y322-F343 HydrophobicContact CE2-CD2 3.98Å; Y322-F343 AromaticContact CE2-CE2 3.81Å; Y322-F343 HydrophobicContact CE2-CE2 3.81Å; Y322-V347 HydrophobicContact CE2-CG1 4.28Å
323Q97.6Very high94.5Very high129 Ų12962.8 Ų62.860%0.60332%0.32SS*.Hα-helixtrans-60.5-19.4174.8-76.6171.1-3.900113.3E319 H320 W321 S325 G326E319-Q323 VanDerWaalsContact O-CG 3.27Å; E319-Q323 WeakPolarHBondContact O-CG 3.41Å; E319-Q323 PolarHBondContact O-N 2.83Å; H320-Q323 PolarHBondContact O-N 2.88Å; W321-Q323 VanDerWaalsContact C-N 3.35Å; W321-Q323 PolarHBondContact O-N 2.86Å; Q323-S325 PolarHBondContact O-N 3.04Å; Q323-S325 VanDerWaalsContact O-N 3.13Å; Q323-G326 PolarHBondContact O-N 2.91Å
324E97.4Very high94.6Very high18 Ų1860.7 Ų60.78%0.08431%0.31CS..G310 helixtrans-59.5-19.1170.3-63.5-178.1174.300113.2W321 Y322 G326 K327 G339 I340 G341 N342 F343W321-E324 VanDerWaalsContact O-CB 3.23Å; W321-E324 WeakPolarHBondContact O-CB 3.41Å; W321-E324 VanDerWaalsContact O-CG 3.32Å; W321-E324 WeakPolarHBondContact O-CG 3.37Å; W321-E324 PolarHBondContact O-N 2.78Å; Y322-E324 PolarHBondContact O-N 2.65Å; Y322-E324 VanDerWaalsContact O-N 3.12Å; E324-G326 PolarHBondContact O-N 3.22Å; E324-G326 VanDerWaalsContact O-N 3.15Å; E324-K327 WeakPolarHBondContact O-CB 3.32Å; E324-K327 PolarHBondContact O-N 3.17Å; E324-G339 VanDerWaalsContact CB-O 3.28Å; E324-G339 WeakPolarHBondContact CB-O 3.44Å; E324-G339 WeakPolarHBondContact CG-O 3.33Å; E324-I340 VanDerWaalsContact OE2-CA 3.28Å; E324-I340 WeakPolarHBondContact OE2-CA 3.48Å; E324-I340 PolarHBondContact OE2-N 3.09Å; E324-G341 PolarHBondContact OE2-N 2.94Å; E324-N342 PolarHBondContact OE1-ND2 2.91Å; E324-N342 WeakPolarHBondContact OE2-CB 3.39Å; E324-N342 PolarHBondContact OE2-N 3.23Å; E324-F343 HydrophobicContact CB-CB 3.69Å; E324-F343 PolarHBondContact OE2-N 2.74Å
325S95.8Very high94.1Very high29 Ų2966.8 Ų66.820%0.20334%0.343CS..G310 helixtrans-50.5-34.7171.557.20000113.5Y322 Q323 K327 Y328 F343Y322-S325 WeakPolarHBondContact O-CB 3.32Å; Y322-S325 PolarHBondContact O-N 2.86Å; Y322-S325 PolarHBondContact O-OG 3.34Å; Q323-S325 PolarHBondContact O-N 3.04Å; Q323-S325 VanDerWaalsContact O-N 3.13Å; S325-K327 PolarHBondContact O-N 3.37Å; S325-K327 VanDerWaalsContact O-N 3.15Å; S325-Y328 PolarHBondContact O-N 3.24Å; S325-Y328 VanDerWaalsContact O-N 3.09Å; S325-F343 VanDerWaalsContact CB-CE2 3.48Å
326G94.6Very high93.7Very high74 Ų7464.6 Ų64.676%0.76334%0.34SS*.G310 helixtrans-63.8-17.8177.500000114Q323 E324Q323-G326 PolarHBondContact O-N 2.91Å; E324-G326 PolarHBondContact O-N 3.22Å; E324-G326 VanDerWaalsContact O-N 3.15Å
327K94.3Very high93.5Very high149 Ų14961.5 Ų61.565%0.64832%0.323SS*.G310 helixtrans-97.6-14177.1-62.2169.8-176.5169.60112.7E324 S325 G339 I340E324-K327 WeakPolarHBondContact O-CB 3.32Å; E324-K327 PolarHBondContact O-N 3.17Å; S325-K327 PolarHBondContact O-N 3.37Å; S325-K327 VanDerWaalsContact O-N 3.15Å; K327-G339 WeakPolarHBondContact CD-O 3.35Å; K327-I340 HydrophobicContact CB-CG2 3.73Å
328Y95.3Very high93.1Very high13 Ų1369 Ų695%0.05136%0.358CS..  trans-83.8129.8-175.6-177.9-108.6000112.4S325 F330 S332 P334 I340 F343 T344 F391 V395S325-Y328 PolarHBondContact O-N 3.24Å; S325-Y328 VanDerWaalsContact O-N 3.09Å; Y328-F330 AromaticContact CD1-CD1 3.64Å; Y328-F330 HydrophobicContact CD1-CD1 3.64Å; Y328-F330 HydrophobicContact CD1-CD2 4.15Å; Y328-F330 AromaticContact CD1-CE1 3.68Å; Y328-F330 HydrophobicContact CD1-CE1 3.68Å; Y328-F330 HydrophobicContact CD1-CE2 4.19Å; Y328-F330 AromaticContact CD1-CG 3.88Å; Y328-F330 HydrophobicContact CD1-CG 3.88Å; Y328-F330 AromaticContact CD1-CZ 3.97Å; Y328-F330 HydrophobicContact CD1-CZ 3.97Å; Y328-F330 HydrophobicContact CE1-CB 4.29Å; Y328-F330 AromaticContact CE1-CD1 3.55Å; Y328-F330 HydrophobicContact CE1-CD1 3.55Å; Y328-F330 AromaticContact CE1-CE1 3.96Å; Y328-F330 HydrophobicContact CE1-CE1 3.96Å; Y328-F330 AromaticContact CE1-CG 3.93Å; Y328-F330 HydrophobicContact CE1-CG 3.93Å; Y328-S332 PolarHBondContact OH-O 2.83Å; Y328-P334 HydrophobicContact CE2-CG 4.28Å; Y328-I340 HydrophobicContact CD2-CD1 3.76Å; Y328-I340 HydrophobicContact CE2-CD1 4.31Å; Y328-F343 AromaticContact CD1-CE1 3.8Å; Y328-F343 HydrophobicContact CD1-CE1 3.8Å; Y328-F343 HydrophobicContact CG-CD1 4.35Å; Y328-F343 AromaticContact CG-CE1 3.9Å; Y328-F343 HydrophobicContact CG-CE1 3.9Å; Y328-T344 HydrophobicContact CD2-CG2 3.82Å; Y328-T344 HydrophobicContact CE2-CG2 4.03Å; Y328-T344 HydrophobicContact CG-CG2 4.26Å; Y328-F391 HydrophobicContact CE2-CD1 4.13Å; Y328-V395 HydrophobicContact CD1-CG1 3.67Å; Y328-V395 HydrophobicContact CE1-CB 3.79Å; Y328-V395 HydrophobicContact CE1-CG1 3.21Å; Y328-V395 HydrophobicContact CE2-CG1 4.48Å; Y328-V395 HydrophobicContact CG-CG1 4.46Å
329K93.8Very high92.7Very high164 Ų16470.1 Ų70.171%0.71337%0.369SS*.  trans-93.3100.3174.7-66.1-179-176.3177.70109.8S332K329-S332 WeakPolarHBondContact CB-OG 3.48Å; K329-S332 PolarHBondContact O-N 2.91Å; K329-S332 PolarHBondContact O-OG 3.36Å
330F93.2Very high92.6Very high56 Ų5667.9 Ų67.925%0.24636%0.359CS..THydrogen-bonded Turntrans-61.9152.5178.6-62.8-86.5000113.2Y328 S332 F343 V395 K396 K397Y328-F330 AromaticContact CD1-CD1 3.64Å; Y328-F330 HydrophobicContact CD1-CD1 3.64Å; Y328-F330 HydrophobicContact CD1-CD2 4.15Å; Y328-F330 AromaticContact CD1-CE1 3.68Å; Y328-F330 HydrophobicContact CD1-CE1 3.68Å; Y328-F330 HydrophobicContact CD1-CE2 4.19Å; Y328-F330 AromaticContact CD1-CG 3.88Å; Y328-F330 HydrophobicContact CD1-CG 3.88Å; Y328-F330 AromaticContact CD1-CZ 3.97Å; Y328-F330 HydrophobicContact CD1-CZ 3.97Å; Y328-F330 HydrophobicContact CE1-CB 4.29Å; Y328-F330 AromaticContact CE1-CD1 3.55Å; Y328-F330 HydrophobicContact CE1-CD1 3.55Å; Y328-F330 AromaticContact CE1-CE1 3.96Å; Y328-F330 HydrophobicContact CE1-CE1 3.96Å; Y328-F330 AromaticContact CE1-CG 3.93Å; Y328-F330 HydrophobicContact CE1-CG 3.93Å; F330-S332 PolarHBondContact O-N 2.89Å; F330-F343 HydrophobicContact CE1-CE1 4.41Å; F330-F343 HydrophobicContact CE1-CZ 4.07Å; F330-F343 HydrophobicContact CZ-CE1 4.32Å; F330-F343 AromaticContact CZ-CZ 3.95Å; F330-F343 HydrophobicContact CZ-CZ 3.95Å; F330-V395 HydrophobicContact CE1-CG1 4.26Å; F330-K396 VanDerWaalsContact CE1-O 3.22Å; F330-K396 WeakPolarHBondContact CE1-O 3.38Å; F330-K397 HydrophobicContact CB-CD 4.12Å; F330-K397 VanDerWaalsContact CB-CE 3.41Å; F330-K397 HydrophobicContact CB-CG 3.51Å; F330-K397 HydrophobicContact CD1-CB 4.31Å; F330-K397 HydrophobicContact CD1-CG 3.64Å; F330-K397 HydrophobicContact CD2-CG 3.96Å; F330-K397 HydrophobicContact CE1-CG 4.35Å; F330-K397 HydrophobicContact CG-CB 4.48Å; F330-K397 HydrophobicContact CG-CD 4.39Å; F330-K397 HydrophobicContact CG-CG 3.42Å; F330-K397 VanDerWaalsContact CG-CG 3.42Å
331N89Confident92.5Very high104 Ų10462.7 Ų62.756%0.55634%0.337SS*.THydrogen-bonded Turntrans59.927.9-176-50.3-20.8000112.9
332S88.1Confident92.5Very high39 Ų3964.1 Ų64.127%0.27335%0.345SS..SBendtrans-138.9155.7174.375.70000110.8Y328 K329 F330Y328-S332 PolarHBondContact OH-O 2.83Å; K329-S332 WeakPolarHBondContact CB-OG 3.48Å; K329-S332 PolarHBondContact O-N 2.91Å; K329-S332 PolarHBondContact O-OG 3.36Å; F330-S332 PolarHBondContact O-N 2.89Å
333E88.7Confident92.5Very high62 Ų6262.5 Ų62.529%0.2934%0.339SS..  trans-90.9121.2170.8-69.8-62.5139.900108.7S389 Q390 F391 Q392E333-S389 VanDerWaalsContact CD-CA 3.49Å; E333-S389 WeakPolarHBondContact OE2-CA 3.3Å; E333-S389 PolarHBondContact OE2-N 2.97Å; E333-Q390 PolarHBondContact OE1-N 3.34Å; E333-Q390 PolarHBondContact OE2-N 3.37Å; E333-F391 PolarHBondContact OE1-N 3.38Å; E333-F391 VanDerWaalsContact OE2-CD2 3.25Å; E333-F391 WeakPolarHBondContact OE2-CD2 3.09Å; E333-F391 PolarHBondContact OE2-N 3.43Å; E333-Q392 HydrophobicContact CG-CG 4.41Å; E333-Q392 PolarHBondContact OE1-N 3.11Å
334P89.8Confident92.5Very high22 Ų2256.3 Ų56.314%0.14331%0.31CS..  trans-74.6149.917828.9-31.2000111.6L140 Y328 S336 I340 F391L140-P334 HydrophobicContact CD2-CB 4.19Å; L140-P334 HydrophobicContact CD2-CG 3.72Å; L140-P334 WeakPolarHBondContact CD2-O 3.41Å; Y328-P334 HydrophobicContact CE2-CG 4.28Å; P334-S336 VanDerWaalsContact C-N 3.31Å; P334-I340 HydrophobicContact CB-CD1 3.72Å; P334-I340 HydrophobicContact CG-CD1 3.82Å; P334-F391 HydrophobicContact CG-CD1 3.69Å; P334-F391 HydrophobicContact CG-CD2 4.09Å; P334-F391 HydrophobicContact CG-CE1 3.77Å; P334-F391 HydrophobicContact CG-CE2 4.15Å; P334-F391 HydrophobicContact CG-CG 3.87Å; P334-F391 HydrophobicContact CG-CZ 4Å
335D83.6Confident92.5Very high134 Ų13455.6 Ų55.672%0.71731%0.306SS*.SBendtrans-78.6-15.7172.3-69.2-32.4000113.2L140L140-D335 WeakPolarHBondContact CD1-O 3.28Å
336S85.7Confident92.6Very high51 Ų5154.2 Ų54.236%0.35730%0.297SS..  trans-155.8146.3-179.6179.60000110.3P334 Q338 I340P334-S336 VanDerWaalsContact C-N 3.31Å; S336-Q338 VanDerWaalsContact C-N 3.32Å; S336-Q338 WeakPolarHBondContact OG-CB 3.49Å; S336-Q338 PolarHBondContact OG-N 3.29Å; S336-Q338 VanDerWaalsContact OG-N 3.1Å; S336-I340 WeakPolarHBondContact O-CD1 2.76Å
337I90Very high92.8Very high11 Ų1150.7 Ų50.76%0.05626%0.26CS..  trans-87.81.9170.463.8171.4000113.5L140 G339 I340 G341 N386 F391L140-I337 HydrophobicContact CB-CG2 3.83Å; L140-I337 HydrophobicContact CD2-CG2 3.69Å; L140-I337 HydrophobicContact CG-CG2 3.91Å; L140-I337 WeakPolarHBondContact O-CD1 3.35Å; L140-I337 VanDerWaalsContact O-CG1 3.27Å; L140-I337 WeakPolarHBondContact O-CG1 3.38Å; I337-G339 PolarHBondContact O-N 2.83Å; I337-G339 VanDerWaalsContact O-N 3.08Å; I337-I340 HydrophobicContact CB-CG1 4.38Å; I337-I340 WeakPolarHBondContact O-CG1 3.45Å; I337-I340 PolarHBondContact O-N 3.49Å; I337-G341 WeakPolarHBondContact O-CA 3.39Å; I337-G341 PolarHBondContact O-N 3.45Å; I337-N386 HydrophobicContact CD1-CB 4.31Å; I337-N386 HydrophobicContact CG2-CB 4.15Å; I337-F391 HydrophobicContact CG2-CE1 4.02Å; I337-F391 HydrophobicContact CG2-CZ 3.52Å
338Q87.9Confident92.9Very high176 Ų17643.6 Ų43.682%0.82223%0.23SC*.THydrogen-bonded Turntrans-60.5118-177.7-173.8175.97.300110.7S336 I340S336-Q338 VanDerWaalsContact C-N 3.32Å; S336-Q338 WeakPolarHBondContact OG-CB 3.49Å; S336-Q338 PolarHBondContact OG-N 3.29Å; S336-Q338 VanDerWaalsContact OG-N 3.1Å; Q338-I340 VanDerWaalsContact C-N 3.27Å; Q338-I340 PolarHBondContact O-N 3.28Å
339G90.5Very high92.9Very high24 Ų2444.4 Ų44.425%0.24724%0.237CC..THydrogen-bonded Turntrans73.710.6-179.200000115.5E324 K327 I337E324-G339 VanDerWaalsContact CB-O 3.28Å; E324-G339 WeakPolarHBondContact CB-O 3.44Å; E324-G339 WeakPolarHBondContact CG-O 3.33Å; K327-G339 WeakPolarHBondContact CD-O 3.35Å; I337-G339 PolarHBondContact O-N 2.83Å; I337-G339 VanDerWaalsContact O-N 3.08Å
340I95.7Very high92.9Very high11 Ų1138.1 Ų38.16%0.05621%0.214CC..THydrogen-bonded Turntrans-129.2-16.716960.9163.6000113.4E324 K327 Y328 P334 S336 I337 Q338 N342 F343 T344E324-I340 VanDerWaalsContact OE2-CA 3.28Å; E324-I340 WeakPolarHBondContact OE2-CA 3.48Å; E324-I340 PolarHBondContact OE2-N 3.09Å; K327-I340 HydrophobicContact CB-CG2 3.73Å; Y328-I340 HydrophobicContact CD2-CD1 3.76Å; Y328-I340 HydrophobicContact CE2-CD1 4.31Å; P334-I340 HydrophobicContact CB-CD1 3.72Å; P334-I340 HydrophobicContact CG-CD1 3.82Å; S336-I340 WeakPolarHBondContact O-CD1 2.76Å; I337-I340 HydrophobicContact CB-CG1 4.38Å; I337-I340 WeakPolarHBondContact O-CG1 3.45Å; I337-I340 PolarHBondContact O-N 3.49Å; Q338-I340 VanDerWaalsContact C-N 3.27Å; Q338-I340 PolarHBondContact O-N 3.28Å; I340-N342 VanDerWaalsContact C-N 3.29Å; I340-N342 PolarHBondContact O-N 2.74Å; I340-F343 PolarHBondContact O-N 2.92Å; I340-T344 HydrophobicContact CB-CG2 4.4Å; I340-T344 HydrophobicContact CD1-CG2 4.35Å; I340-T344 WeakPolarHBondContact O-CG2 3.23Å; I340-T344 PolarHBondContact O-N 2.98Å; I340-T344 PolarHBondContact O-OG1 3.25Å
341G94.4Very high93Very high8 Ų835.5 Ų35.58%0.08220%0.203CC..Hα-helixtrans-63.7-30.3-167.600000114.4E324 I337 T344 Q345 N386E324-G341 PolarHBondContact OE2-N 2.94Å; I337-G341 WeakPolarHBondContact O-CA 3.39Å; I337-G341 PolarHBondContact O-N 3.45Å; G341-T344 WeakPolarHBondContact CA-OG1 3.3Å; G341-T344 PolarHBondContact O-OG1 2.91Å; G341-Q345 VanDerWaalsContact O-CB 3.22Å; G341-Q345 WeakPolarHBondContact O-CB 3.41Å; G341-Q345 PolarHBondContact O-N 3.27Å; G341-Q345 VanDerWaalsContact O-N 3.14Å; G341-N386 PolarHBondContact O-ND2 2.78Å
342N97.9Very high93.2Very high38 Ų3835.5 Ų35.520%0.20320%0.2CC..Hα-helixtrans-74.4-46.5178-59.3-60.7000109.7N300 W321 E324 I340 Q345 I346N300-N342 PolarHBondContact ND2-O 3.45Å; N300-N342 PolarHBondContact OD1-OD1 3.29Å; W321-N342 HydrophobicContact CB-CB 3.53Å; W321-N342 VanDerWaalsContact CD1-CG 3.44Å; W321-N342 HydrophobicContact CD2-CB 4.12Å; W321-N342 HydrophobicContact CG-CB 3.45Å; W321-N342 VanDerWaalsContact CG-CB 3.45Å; E324-N342 PolarHBondContact OE1-ND2 2.91Å; E324-N342 WeakPolarHBondContact OE2-CB 3.39Å; E324-N342 PolarHBondContact OE2-N 3.23Å; I340-N342 VanDerWaalsContact C-N 3.29Å; I340-N342 PolarHBondContact O-N 2.74Å; N342-Q345 PolarHBondContact O-N 2.78Å; N342-I346 VanDerWaalsContact O-CG1 3.29Å; N342-I346 WeakPolarHBondContact O-CG1 3.42Å; N342-I346 PolarHBondContact O-N 3.45Å
343F98.4Very high93.6Very high0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-57.5-53.1174.2160.1-106.4000111.6H257 W321 Y322 E324 S325 Y328 F330 I340 Q345 I346 V347 V395H257-F343 AromaticContact CE1-CE2 3.64Å; H257-F343 AromaticContact CE1-CZ 3.61Å; H257-F343 AromaticContact NE2-CE2 3.81Å; W321-F343 WeakPolarHBondContact O-CB 3.32Å; W321-F343 PolarHBondContact O-N 3.08Å; Y322-F343 AromaticContact CD2-CD2 3.85Å; Y322-F343 HydrophobicContact CD2-CD2 3.85Å; Y322-F343 HydrophobicContact CD2-CE2 4.19Å; Y322-F343 AromaticContact CE2-CD2 3.98Å; Y322-F343 HydrophobicContact CE2-CD2 3.98Å; Y322-F343 AromaticContact CE2-CE2 3.81Å; Y322-F343 HydrophobicContact CE2-CE2 3.81Å; E324-F343 HydrophobicContact CB-CB 3.69Å; E324-F343 PolarHBondContact OE2-N 2.74Å; S325-F343 VanDerWaalsContact CB-CE2 3.48Å; Y328-F343 AromaticContact CD1-CE1 3.8Å; Y328-F343 HydrophobicContact CD1-CE1 3.8Å; Y328-F343 HydrophobicContact CG-CD1 4.35Å; Y328-F343 AromaticContact CG-CE1 3.9Å; Y328-F343 HydrophobicContact CG-CE1 3.9Å; F330-F343 HydrophobicContact CE1-CE1 4.41Å; F330-F343 HydrophobicContact CE1-CZ 4.07Å; F330-F343 HydrophobicContact CZ-CE1 4.32Å; F330-F343 AromaticContact CZ-CZ 3.95Å; F330-F343 HydrophobicContact CZ-CZ 3.95Å; I340-F343 PolarHBondContact O-N 2.92Å; F343-Q345 PolarHBondContact O-N 2.9Å; F343-I346 WeakPolarHBondContact O-CB 3.37Å; F343-I346 PolarHBondContact O-N 3.46Å; F343-I346 VanDerWaalsContact O-N 3.07Å; F343-V347 HydrophobicContact CD2-CG1 4.21Å; F343-V347 HydrophobicContact CD2-CG2 4.4Å; F343-V347 HydrophobicContact CE1-CG2 4.25Å; F343-V347 HydrophobicContact CE2-CB 4.46Å; F343-V347 HydrophobicContact CE2-CG1 3.75Å; F343-V347 HydrophobicContact CE2-CG2 3.86Å; F343-V347 HydrophobicContact CZ-CG1 4.43Å; F343-V347 HydrophobicContact CZ-CG2 3.77Å; F343-V347 PolarHBondContact O-N 3.35Å; F343-V347 VanDerWaalsContact O-N 3.13Å; F343-V395 HydrophobicContact CE1-CG1 3.78Å; F343-V395 HydrophobicContact CZ-CG1 4.14Å
344T97.7Very high94Very high0 Ų033.7 Ų33.70%018%0.184CC..Hα-helixtrans-62.5-32.4-176.1500000111.6Y328 I340 G341 W348 N386 F391 V395Y328-T344 HydrophobicContact CD2-CG2 3.82Å; Y328-T344 HydrophobicContact CE2-CG2 4.03Å; Y328-T344 HydrophobicContact CG-CG2 4.26Å; I340-T344 HydrophobicContact CB-CG2 4.4Å; I340-T344 HydrophobicContact CD1-CG2 4.35Å; I340-T344 WeakPolarHBondContact O-CG2 3.23Å; I340-T344 PolarHBondContact O-N 2.98Å; I340-T344 PolarHBondContact O-OG1 3.25Å; G341-T344 WeakPolarHBondContact CA-OG1 3.3Å; G341-T344 PolarHBondContact O-OG1 2.91Å; T344-W348 WeakPolarHBondContact O-CA 3.42Å; T344-W348 WeakPolarHBondContact O-CB 3.45Å; T344-W348 PolarHBondContact O-N 2.84Å; T344-N386 VanDerWaalsContact CB-OD1 3.31Å; T344-N386 WeakPolarHBondContact CB-OD1 3.34Å; T344-N386 PolarHBondContact OG1-OD1 3.25Å; T344-F391 HydrophobicContact CG2-CD1 4.1Å; T344-F391 HydrophobicContact CG2-CE1 4.01Å; T344-V395 HydrophobicContact CG2-CG1 4.13Å; T344-V395 HydrophobicContact CG2-CG2 4Å
345Q98Very high94.4Very high2 Ų232.6 Ų32.61%0.00918%0.177CC..Hα-helixtrans-70.1-41.6173.1-176.861.281.700112.9G298 N300 G341 N342 F343 V347 W348 S351 Y381G298-Q345 VanDerWaalsContact CA-OE1 3.32Å; N300-Q345 WeakPolarHBondContact OD1-CB 3.26Å; N300-Q345 WeakPolarHBondContact OD1-CG 3.44Å; G341-Q345 VanDerWaalsContact O-CB 3.22Å; G341-Q345 WeakPolarHBondContact O-CB 3.41Å; G341-Q345 PolarHBondContact O-N 3.27Å; G341-Q345 VanDerWaalsContact O-N 3.14Å; N342-Q345 PolarHBondContact O-N 2.78Å; F343-Q345 PolarHBondContact O-N 2.9Å; Q345-V347 VanDerWaalsContact C-N 3.29Å; Q345-V347 PolarHBondContact O-N 3.34Å; Q345-W348 WeakPolarHBondContact O-CB 3.3Å; Q345-W348 PolarHBondContact O-N 3.29Å; Q345-S351 PolarHBondContact NE2-OG 3.15Å; Q345-Y381 HydrophobicContact CG-CD1 4.35Å; Q345-Y381 HydrophobicContact CG-CD2 3.28Å; Q345-Y381 HydrophobicContact CG-CE1 4.41Å; Q345-Y381 HydrophobicContact CG-CE2 3.35Å; Q345-Y381 HydrophobicContact CG-CG 3.82Å
346I98.5Very high95.1Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-55.7-48.7176.8-71.6165000109.8R254 I318 W321 N342 F343R254-I346 VanDerWaalsContact CD-O 3.3Å; R254-I346 WeakPolarHBondContact CD-O 3.45Å; R254-I346 WeakPolarHBondContact CG-O 3.5Å; R254-I346 PolarHBondContact NH1-O 2.91Å; I318-I346 HydrophobicContact CG2-CD1 4.39Å; W321-I346 HydrophobicContact CB-CD1 3.68Å; W321-I346 HydrophobicContact CE3-CD1 4.23Å; N342-I346 VanDerWaalsContact O-CG1 3.29Å; N342-I346 WeakPolarHBondContact O-CG1 3.42Å; N342-I346 PolarHBondContact O-N 3.45Å; F343-I346 WeakPolarHBondContact O-CB 3.37Å; F343-I346 PolarHBondContact O-N 3.46Å; F343-I346 VanDerWaalsContact O-N 3.07Å
347V97.8Very high95.7Very high0 Ų023.9 Ų23.90%013%0.126CC..THydrogen-bonded Turntrans-925.6-174.3-54.20000114H257 S259 Y322 F343 Q345 S349 N394 V395H257-V347 HydrophobicContact CB-CB 4.24Å; H257-V347 HydrophobicContact CB-CG1 4.34Å; S259-V347 PolarHBondContact OG-O 2.8Å; Y322-V347 HydrophobicContact CE2-CG1 4.28Å; F343-V347 HydrophobicContact CD2-CG1 4.21Å; F343-V347 HydrophobicContact CD2-CG2 4.4Å; F343-V347 HydrophobicContact CE1-CG2 4.25Å; F343-V347 HydrophobicContact CE2-CB 4.46Å; F343-V347 HydrophobicContact CE2-CG1 3.75Å; F343-V347 HydrophobicContact CE2-CG2 3.86Å; F343-V347 HydrophobicContact CZ-CG1 4.43Å; F343-V347 HydrophobicContact CZ-CG2 3.77Å; F343-V347 PolarHBondContact O-N 3.35Å; F343-V347 VanDerWaalsContact O-N 3.13Å; Q345-V347 VanDerWaalsContact C-N 3.29Å; Q345-V347 PolarHBondContact O-N 3.34Å; V347-S349 PolarHBondContact O-N 2.66Å; V347-N394 VanDerWaalsContact O-O 3.07Å; V347-V395 HydrophobicContact CG2-CG1 3.78Å
348W97.7Very high96Very high0 Ų023.6 Ų23.60%013%0.125CC..  trans-61.5111.2-175.9-164.9-96.7000111.6R254 T344 Q345 S350 S351 G385 N386 V387 Q390 F391 N394 V395R254-W348 PolarHBondContact NH1-O 3.25Å; R254-W348 PolarHBondContact NH2-O 2.85Å; T344-W348 WeakPolarHBondContact O-CA 3.42Å; T344-W348 WeakPolarHBondContact O-CB 3.45Å; T344-W348 PolarHBondContact O-N 2.84Å; Q345-W348 WeakPolarHBondContact O-CB 3.3Å; Q345-W348 PolarHBondContact O-N 3.29Å; W348-S350 VanDerWaalsContact C-N 3.32Å; W348-S350 PolarHBondContact O-N 2.79Å; W348-S351 PolarHBondContact O-N 3.1Å; W348-S351 VanDerWaalsContact O-N 3.12Å; W348-G385 VanDerWaalsContact CG-CA 3.43Å; W348-N386 VanDerWaalsContact CE3-N 3.34Å; W348-N386 VanDerWaalsContact CZ3-N 3.32Å; W348-V387 HydrophobicContact CH2-CB 4.46Å; W348-V387 WeakPolarHBondContact CH2-O 3.17Å; W348-V387 HydrophobicContact CZ2-CB 4.14Å; W348-V387 HydrophobicContact CZ2-CG2 4.35Å; W348-Q390 HydrophobicContact CH2-CB 3.83Å; W348-Q390 HydrophobicContact CZ2-CB 3.75Å; W348-F391 HydrophobicContact CH2-CD2 4.25Å; W348-F391 HydrophobicContact CH2-CE2 4.47Å; W348-F391 HydrophobicContact CH2-CG 4.35Å; W348-F391 AromaticContact CZ3-CD1 3.9Å; W348-F391 HydrophobicContact CZ3-CD1 3.9Å; W348-F391 HydrophobicContact CZ3-CD2 4.27Å; W348-F391 HydrophobicContact CZ3-CE1 4.06Å; W348-F391 HydrophobicContact CZ3-CE2 4.43Å; W348-F391 AromaticContact CZ3-CG 4Å; W348-F391 HydrophobicContact CZ3-CG 4Å; W348-F391 HydrophobicContact CZ3-CZ 4.32Å; W348-N394 HydrophobicContact CD2-CB 3.33Å; W348-N394 HydrophobicContact CE3-CB 3.58Å; W348-N394 HydrophobicContact CG-CB 3.9Å; W348-N394 HydrophobicContact CH2-CB 3.86Å; W348-N394 HydrophobicContact CZ2-CB 3.65Å; W348-N394 VanDerWaalsContact CZ2-ND2 3.35Å; W348-N394 WeakPolarHBondContact CZ2-ND2 3.16Å; W348-N394 HydrophobicContact CZ3-CB 3.83Å; W348-N394 PolarHBondContact NE1-OD1 3.35Å; W348-V395 HydrophobicContact CE3-CG2 3.84Å; W348-V395 HydrophobicContact CZ3-CG2 3.99Å
349S94.8Very high96.3Very high30 Ų3015.3 Ų15.321%0.219%0.087CC..THydrogen-bonded Turntrans-62.9-34.6-16781.40000114.4V347 N393 N394V347-S349 PolarHBondContact O-N 2.66Å; S349-N393 PolarHBondContact OG-O 2.87Å; S349-N394 PolarHBondContact N-O 2.75Å; S349-N394 PolarHBondContact N-OD1 3.47Å; S349-N394 PolarHBondContact OG-OD1 3.37Å
350S92.8Very high96.4Very high33 Ų3317.1 Ų17.123%0.2319%0.09CC..THydrogen-bonded Turntrans-79.7-11.8179.6-67.40000114W348 P383 N394W348-S350 VanDerWaalsContact C-N 3.32Å; W348-S350 PolarHBondContact O-N 2.79Å; S350-P383 VanDerWaalsContact O-CD 3.28Å; S350-P383 WeakPolarHBondContact O-CD 3.35Å; S350-N394 VanDerWaalsContact CB-OD1 3.25Å; S350-N394 WeakPolarHBondContact CB-OD1 3.27Å; S350-N394 PolarHBondContact N-OD1 3.1Å; S350-N394 PolarHBondContact OG-OD1 2.71Å
351S95.8Very high96.1Very high1 Ų120.4 Ų20.41%0.00711%0.105CC..  trans-73130.6172.6-65.20000109.3R254 L262 Q345 W348 P383R254-S351 PolarHBondContact NH2-O 3.32Å; L262-S351 VanDerWaalsContact CD2-O 3.25Å; L262-S351 WeakPolarHBondContact CD2-O 3.41Å; Q345-S351 PolarHBondContact NE2-OG 3.15Å; W348-S351 PolarHBondContact O-N 3.1Å; W348-S351 VanDerWaalsContact O-N 3.12Å; S351-P383 WeakPolarHBondContact CB-O 3.45Å; S351-P383 PolarHBondContact OG-O 3.31Å
352E92.7Very high95.6Very high104 Ų10422.5 Ų22.549%0.48612%0.118SC..  trans-113.9-30-173.2-61178.7169.400113L262 V263 H382L262-E352 WeakPolarHBondContact CA-O 3.42Å; V263-E352 PolarHBondContact N-O 3Å; E352-H382 PolarHBondContact N-O 2.94Å
353R96.5Very high94.8Very high62 Ų6223.5 Ų23.523%0.23412%0.12CC..EExtended strand (participates in β ladder)trans-124.4147.6-173.2-66.4175.2-17872.56110.8V263 D265 L268 Y381 H382V263-R353 VanDerWaalsContact O-CA 3.27Å; V263-R353 WeakPolarHBondContact O-CA 3.2Å; D265-R353 HydrophobicContact CB-CB 4.18Å; D265-R353 HydrophobicContact CB-CG 4.46Å; D265-R353 WeakPolarHBondContact OD2-CD 3.27Å; D265-R353 IonicContact OD2-NE 3.22Å; L268-R353 HydrophobicContact CD1-CB 3.94Å; R353-Y381 WeakPolarHBondContact O-CA 3.37Å; R353-H382 HydrophobicContact CB-CB 4.44Å; R353-H382 PolarHBondContact N-O 3.4Å; R353-H382 PolarHBondContact O-N 2.98Å
354I98.6Very high93.6Very high0 Ų030.1 Ų30.10%015%0.149CC..EExtended strand (participates in β ladder)trans-127.5138.7172.7-169.7172.7000109.8V247 L262 V263 L264 D265 V356 C379 L380 Y381V247-I354 HydrophobicContact CG1-CG2 4.2Å; V247-I354 HydrophobicContact CG2-CG2 3.88Å; L262-I354 HydrophobicContact CB-CB 4.07Å; L262-I354 HydrophobicContact CB-CG2 3.83Å; L262-I354 HydrophobicContact CD1-CB 4.11Å; L262-I354 HydrophobicContact CD1-CD1 4.26Å; V263-I354 PolarHBondContact O-N 3.39Å; L264-I354 CarbonylContact C-O 3.47Å; L264-I354 WeakPolarHBondContact CA-O 3.48Å; L264-I354 HydrophobicContact CD1-CG2 4.5Å; D265-I354 PolarHBondContact N-O 3Å; I354-V356 HydrophobicContact CD1-CG2 4.04Å; I354-V356 HydrophobicContact CG1-CG2 4.05Å; I354-C379 HydrophobicContact CD1-CB 4.25Å; I354-L380 CarbonylContact C-O 3.42Å; I354-L380 VanDerWaalsContact CA-O 3.25Å; I354-L380 WeakPolarHBondContact CA-O 3.45Å; I354-Y381 HydrophobicContact CD1-CD1 4.38Å; I354-Y381 HydrophobicContact CD1-CE1 3.76Å; I354-Y381 HydrophobicContact CG1-CD1 4.22Å; I354-Y381 HydrophobicContact CG1-CE1 4.06Å
355G98.3Very high92.1Very high0 Ų034.5 Ų34.50%018%0.179CC..EExtended strand (participates in β ladder)trans-112.2140.3160.900000109.9S269 C379 L380S269-G355 WeakPolarHBondContact OG-CA 3.36Å; G355-C379 CarbonylContact O-C 3.59Å; G355-C379 WeakPolarHBondContact O-CA 3.44Å; G355-L380 PolarHBondContact N-O 3.26Å; G355-L380 PolarHBondContact O-N 3.47Å
356V98.5Very high90.5Very high1 Ų138.2 Ų38.21%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-124.1130-178.5-175.80000109.5I243 V246 V247 L264 S269 I354 I358 L377 V378I243-V356 HydrophobicContact CB-CG1 4.5Å; I243-V356 HydrophobicContact CG1-CB 4.29Å; I243-V356 HydrophobicContact CG1-CG1 4.03Å; I243-V356 HydrophobicContact CG2-CB 4.02Å; I243-V356 HydrophobicContact CG2-CG1 4.46Å; I243-V356 HydrophobicContact CG2-CG2 4.49Å; V246-V356 HydrophobicContact CB-CG1 4.09Å; V246-V356 HydrophobicContact CB-CG2 4.36Å; V246-V356 HydrophobicContact CG1-CB 4.49Å; V246-V356 HydrophobicContact CG1-CG1 3.85Å; V246-V356 HydrophobicContact CG1-CG2 3.75Å; V246-V356 HydrophobicContact CG2-CG1 4.15Å; V247-V356 HydrophobicContact CG2-CG2 3.99Å; L264-V356 HydrophobicContact CD1-CG2 4.22Å; S269-V356 PolarHBondContact OG-N 2.93Å; I354-V356 HydrophobicContact CD1-CG2 4.04Å; I354-V356 HydrophobicContact CG1-CG2 4.05Å; V356-I358 HydrophobicContact CG1-CD1 4.4Å; V356-I358 HydrophobicContact CG1-CG1 4.15Å; V356-L377 HydrophobicContact CG1-CD1 3.9Å; V356-V378 WeakPolarHBondContact CA-O 3.46Å
357G97.7Very high88.7Confident0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-126.5136.717200000110A272 V378A272-G357 VanDerWaalsContact CB-N 3.33Å; G357-V378 PolarHBondContact N-O 2.94Å; G357-V378 PolarHBondContact O-N 2.78Å
358I96.8Very high86.6Confident5 Ų547.8 Ų47.83%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-133.1120.4179-49.3169.6000108.2L239 I243 V246 Q273 L312 V356 M375 I376 L377L239-I358 HydrophobicContact CD1-CB 3.85Å; L239-I358 HydrophobicContact CD1-CD1 4.23Å; L239-I358 HydrophobicContact CD1-CG1 4.41Å; I243-I358 HydrophobicContact CG1-CD1 4.06Å; V246-I358 HydrophobicContact CG2-CD1 4.4Å; Q273-I358 PolarHBondContact NE2-O 2.79Å; Q273-I358 PolarHBondContact OE1-O 2.94Å; L312-I358 HydrophobicContact CD1-CB 4.46Å; L312-I358 HydrophobicContact CD1-CG2 3.53Å; V356-I358 HydrophobicContact CG1-CD1 4.4Å; V356-I358 HydrophobicContact CG1-CG1 4.15Å; I358-M375 HydrophobicContact CG2-CG 4.2Å; I358-I376 WeakPolarHBondContact CA-O 3.43Å; I358-L377 HydrophobicContact CD1-CD1 4.45Å; I358-L377 HydrophobicContact CG1-CD1 3.84Å
359A94.4Very high84.6Confident3 Ų355.9 Ų55.93%0.02531%0.308CS..EExtended strand (participates in β ladder)trans-117.4134.9175.100000108.8A276 D277 L280 M375 I376A276-A359 VanDerWaalsContact C-CB 3.4Å; A276-A359 HydrophobicContact CB-CB 3.72Å; A276-A359 WeakPolarHBondContact O-CB 3.27Å; D277-A359 WeakPolarHBondContact OD1-CB 3.25Å; L280-A359 HydrophobicContact CB-CB 4.18Å; L280-A359 HydrophobicContact CD1-CB 4.36Å; L280-A359 HydrophobicContact CD2-CB 4.14Å; L280-A359 HydrophobicContact CG-CB 4.48Å; A359-M375 CarbonylContact O-C 3.54Å; A359-M375 WeakPolarHBondContact O-CA 3.33Å; A359-I376 HydrophobicContact CB-CB 4.45Å; A359-I376 PolarHBondContact N-O 2.88Å; A359-I376 PolarHBondContact O-N 3.22Å
360I91.2Very high83.1Confident62 Ų6263.2 Ų63.232%0.31834%0.339SS..EExtended strand (participates in β ladder)trans-136.6131.3-177.5-171.6169.6000110.1M310 L312 K374 M375M310-I360 HydrophobicContact CB-CD1 4.04Å; M310-I360 HydrophobicContact CG-CD1 3.87Å; M310-I360 HydrophobicContact CG-CG1 4.49Å; M310-I360 WeakPolarHBondContact O-CD1 3.38Å; M310-I360 HydrophobicContact SD-CD1 4.3Å; M310-I360 HydrophobicContact SD-CG1 4.37Å; L312-I360 HydrophobicContact CD1-CB 4.43Å; L312-I360 HydrophobicContact CD1-CD1 4.41Å; L312-I360 HydrophobicContact CD1-CG2 4.16Å; I360-K374 CarbonylContact C-O 3.57Å; I360-K374 WeakPolarHBondContact CA-O 3.34Å; I360-M375 HydrophobicContact CD1-CE 4Å; I360-M375 HydrophobicContact CG1-CB 4.42Å
361Q88.9Confident82.1Confident79 Ų7966.2 Ų66.237%0.36935%0.348SS..EExtended strand (participates in β ladder)trans-116.7112.7166.7-179.270.269.900106.2L280 Y363 S373 K374L280-Q361 HydrophobicContact CD1-CB 4.14Å; L280-Q361 HydrophobicContact CD2-CB 4.06Å; L280-Q361 HydrophobicContact CG-CB 4.29Å; Q361-Y363 HydrophobicContact CG-CD2 4.44Å; Q361-Y363 HydrophobicContact CG-CE1 4.41Å; Q361-Y363 HydrophobicContact CG-CE2 3.53Å; Q361-Y363 VanDerWaalsContact CG-OH 3.3Å; Q361-Y363 WeakPolarHBondContact CG-OH 3.39Å; Q361-S373 CarbonylContact O-C 3.59Å; Q361-S373 WeakPolarHBondContact O-CA 3.45Å; Q361-S373 WeakPolarHBondContact O-CB 3.19Å; Q361-K374 PolarHBondContact N-O 3.28Å; Q361-K374 PolarHBondContact O-N 2.86Å
362S85.7Confident81.4Confident52 Ų5269.9 Ų69.936%0.36437%0.367SS..  trans-117.6132.9-179.8-177.50000110.4P309 M310 S373P309-S362 WeakPolarHBondContact CA-OG 3.49Å; M310-S362 PolarHBondContact N-OG 3.03Å; S362-S373 WeakPolarHBondContact CA-OG 3.18Å
363Y79.4Confident81.2Confident59 Ų5965 Ų6523%0.23134%0.344CS..  trans-110.8148.6173.8-59.9-74.2000110.4G308 P309 Q361 K371 D372 S373G308-Y363 CarbonylContact C-O 3.24Å; G308-Y363 VanDerWaalsContact C-O 3.24Å; P309-Y363 WeakPolarHBondContact CA-O 3.27Å; P309-Y363 VanDerWaalsContact N-O 3.11Å; Q361-Y363 HydrophobicContact CG-CD2 4.44Å; Q361-Y363 HydrophobicContact CG-CE1 4.41Å; Q361-Y363 HydrophobicContact CG-CE2 3.53Å; Q361-Y363 VanDerWaalsContact CG-OH 3.3Å; Q361-Y363 WeakPolarHBondContact CG-OH 3.39Å; Y363-K371 HydrophobicContact CD1-CB 4.4Å; Y363-K371 HydrophobicContact CD1-CD 4.26Å; Y363-K371 HydrophobicContact CD2-CB 3.78Å; Y363-K371 HydrophobicContact CE1-CB 4.38Å; Y363-K371 HydrophobicContact CE1-CD 3.73Å; Y363-K371 HydrophobicContact CE2-CB 3.74Å; Y363-K371 HydrophobicContact CE2-CD 4.33Å; Y363-K371 HydrophobicContact CE2-CG 4.49Å; Y363-K371 HydrophobicContact CG-CB 4.11Å; Y363-D372 WeakPolarHBondContact CE2-O 3.44Å; Y363-S373 PolarHBondContact N-OG 3.1Å
364K74.8Confident80.9Confident139 Ų13962.5 Ų62.560%0.60434%0.336SS*.  trans-75.3148173.7-67.9179.9-174.21650110G366 E367K364-G366 PolarHBondContact O-N 3.46Å; K364-G366 VanDerWaalsContact O-N 3.14Å; K364-E367 HydrophobicContact CB-CG 4.32Å; K364-E367 PolarHBondContact O-N 3.33Å; K364-E367 VanDerWaalsContact O-N 3.16Å
365S66.3Low80.6Confident92 Ų9262.5 Ų62.564%0.64334%0.336SS*.THydrogen-bonded Turntrans-56.5120.7172.7-56.60000109.8P309P309-S365 VanDerWaalsContact CD-OG 3.23Å; P309-S365 WeakPolarHBondContact CD-OG 3.46Å
366G64.5Low80.5Confident80 Ų8062.5 Ų62.583%0.82534%0.336SS*.THydrogen-bonded Turntrans94.8-9.1177.500000116.1K364K364-G366 PolarHBondContact O-N 3.46Å; K364-G366 VanDerWaalsContact O-N 3.14Å
367E58.9Low80.5Confident106 Ų10662.5 Ų62.550%0.49534%0.335SS..SBendtrans-85.3117.1168.1-75176.6177.900108.7K364K364-E367 HydrophobicContact CB-CG 4.32Å; K364-E367 PolarHBondContact O-N 3.33Å; K364-E367 VanDerWaalsContact O-N 3.16Å
368D55.2Low80.5Confident95 Ų9562.5 Ų62.551%0.50834%0.335SS..  trans52.995.5-178.2-65.8-26000115.2H370 K371D368-H370 PolarHBondContact O-N 2.85Å; D368-K371 HydrophobicContact CB-CB 4.37Å; D368-K371 HydrophobicContact CB-CD 3.93Å; D368-K371 HydrophobicContact CB-CG 4.1Å; D368-K371 PolarHBondContact O-N 3.48Å; D368-K371 VanDerWaalsContact O-N 3.1Å; D368-K371 WeakPolarHBondContact OD2-CE 3.33Å; D368-K371 IonicContact OD2-NZ 3.26Å; D368-K371 PolarHBondContact OD2-NZ 2.92Å
369L56.3Low80.6Confident171 Ų17162.2 Ų62.290%0.89533%0.334SS*.THydrogen-bonded Turntrans-52-2.5175.7-81.9158.1000116.2
370H62.8Low80.8Confident184 Ų18462.1 Ų62.185%0.85233%0.333SS*.THydrogen-bonded Turntrans-121.112.6-175.6-61-53.7000114D368D368-H370 PolarHBondContact O-N 2.85Å
371K71Confident81.1Confident95 Ų9559.1 Ų59.141%0.41332%0.318SS..  trans-123119.9-179.1-67.8-177.9-176.8159.60112.3Y363 D368Y363-K371 HydrophobicContact CD1-CB 4.4Å; Y363-K371 HydrophobicContact CD1-CD 4.26Å; Y363-K371 HydrophobicContact CD2-CB 3.78Å; Y363-K371 HydrophobicContact CE1-CB 4.38Å; Y363-K371 HydrophobicContact CE1-CD 3.73Å; Y363-K371 HydrophobicContact CE2-CB 3.74Å; Y363-K371 HydrophobicContact CE2-CD 4.33Å; Y363-K371 HydrophobicContact CE2-CG 4.49Å; Y363-K371 HydrophobicContact CG-CB 4.11Å; D368-K371 HydrophobicContact CB-CB 4.37Å; D368-K371 HydrophobicContact CB-CD 3.93Å; D368-K371 HydrophobicContact CB-CG 4.1Å; D368-K371 PolarHBondContact O-N 3.48Å; D368-K371 VanDerWaalsContact O-N 3.1Å; D368-K371 WeakPolarHBondContact OD2-CE 3.33Å; D368-K371 IonicContact OD2-NZ 3.26Å; D368-K371 PolarHBondContact OD2-NZ 2.92Å
372D80.3Confident81.1Confident78 Ų7855.9 Ų55.942%0.41730%0.303SS..  trans-93137.3173.9-61.6-33.6000110.3W305 N307 Y363W305-D372 HydrophobicContact CE3-CB 3.9Å; W305-D372 HydrophobicContact CZ3-CB 4.39Å; N307-D372 PolarHBondContact OD1-OD1 3.47Å; Y363-D372 WeakPolarHBondContact CE2-O 3.44Å
373S88.6Confident81.4Confident1 Ų153.9 Ų53.91%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-66.6141.8167.7-62.70000109.6W305 S306 G308 M310 Q361 S362 Y363W305-S373 CarbonylContact C-O 3.43Å; W305-S373 VanDerWaalsContact CA-O 3.25Å; W305-S373 WeakPolarHBondContact CA-O 3.39Å; S306-S373 PolarHBondContact N-O 2.96Å; S306-S373 WeakPolarHBondContact O-CB 3.18Å; S306-S373 PolarHBondContact O-N 3.04Å; G308-S373 WeakPolarHBondContact O-CB 3.41Å; G308-S373 PolarHBondContact O-OG 2.8Å; M310-S373 WeakPolarHBondContact CE-O 3.48Å; Q361-S373 CarbonylContact O-C 3.59Å; Q361-S373 WeakPolarHBondContact O-CA 3.45Å; Q361-S373 WeakPolarHBondContact O-CB 3.19Å; S362-S373 WeakPolarHBondContact CA-OG 3.18Å; Y363-S373 PolarHBondContact N-OG 3.1Å
374K90.5Very high82Confident11 Ų1151.4 Ų51.45%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-137.7135.4-175.6-172.7-173.2-177.4-176.30110.6L279 L280 Q282 R304 W305 I360 Q361 I376L279-K374 PolarHBondContact O-NZ 3.06Å; L280-K374 HydrophobicContact CD1-CB 4.17Å; L280-K374 HydrophobicContact CD1-CD 4.04Å; L280-K374 HydrophobicContact CD1-CG 4.11Å; L280-K374 WeakPolarHBondContact O-CD 3.33Å; L280-K374 PolarHBondContact O-NZ 2.9Å; Q282-K374 PolarHBondContact O-NZ 2.91Å; R304-K374 WeakPolarHBondContact O-CA 3.13Å; W305-K374 HydrophobicContact CD2-CB 4.27Å; W305-K374 HydrophobicContact CD2-CD 4.45Å; W305-K374 HydrophobicContact CD2-CG 3.97Å; W305-K374 HydrophobicContact CE3-CB 3.82Å; W305-K374 HydrophobicContact CE3-CD 4.24Å; W305-K374 HydrophobicContact CE3-CG 3.93Å; W305-K374 HydrophobicContact CH2-CB 4.4Å; W305-K374 HydrophobicContact CH2-CD 3.37Å; W305-K374 HydrophobicContact CH2-CG 3.96Å; W305-K374 HydrophobicContact CZ2-CD 3.55Å; W305-K374 HydrophobicContact CZ2-CG 3.94Å; W305-K374 HydrophobicContact CZ3-CB 3.89Å; W305-K374 HydrophobicContact CZ3-CD 3.72Å; W305-K374 HydrophobicContact CZ3-CG 3.93Å; I360-K374 CarbonylContact C-O 3.57Å; I360-K374 WeakPolarHBondContact CA-O 3.34Å; Q361-K374 PolarHBondContact N-O 3.28Å; Q361-K374 PolarHBondContact O-N 2.86Å; K374-I376 HydrophobicContact CD-CD1 4.43Å; K374-I376 VanDerWaalsContact CE-CD1 3.48Å; K374-I376 HydrophobicContact CG-CD1 4.43Å
375M93.5Very high82.7Confident0 Ų045 Ų450%025%0.252CS..EExtended strand (participates in β ladder)trans-119.5140.3167172.7-167.3-63.200109.4S303 R304 M310 E311 L312 L317 I358 A359 I360S303-M375 CarbonylContact C-O 3.5Å; S303-M375 WeakPolarHBondContact CA-O 2.96Å; R304-M375 HydrophobicContact CB-CB 4.45Å; R304-M375 PolarHBondContact N-O 2.98Å; R304-M375 PolarHBondContact O-N 3.36Å; M310-M375 HydrophobicContact CG-CE 4.31Å; M310-M375 HydrophobicContact SD-CB 3.34Å; M310-M375 WeakPolarHBondContact SD-CB 3.37Å; M310-M375 HydrophobicContact SD-CE 4.33Å; M310-M375 PolarHBondContact SD-N 3.01Å; M310-M375 VanDerWaalsContact SD-N 3.4Å; E311-M375 WeakPolarHBondContact O-CE 3.34Å; L312-M375 HydrophobicContact CD1-CE 4.33Å; L317-M375 HydrophobicContact CD1-SD 4.47Å; I358-M375 HydrophobicContact CG2-CG 4.2Å; A359-M375 CarbonylContact O-C 3.54Å; A359-M375 WeakPolarHBondContact O-CA 3.33Å; I360-M375 HydrophobicContact CD1-CE 4Å; I360-M375 HydrophobicContact CG1-CB 4.42Å
376I95.9Very high84Confident0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-116.7130.9168.1-59.3-55.7000109A276 L279 L280 L285 G302 I358 A359 K374 V378A276-I376 HydrophobicContact CB-CB 4.48Å; A276-I376 HydrophobicContact CB-CG2 4.07Å; L279-I376 HydrophobicContact CB-CD1 4.42Å; L279-I376 HydrophobicContact CB-CG1 4.13Å; L279-I376 HydrophobicContact CB-CG2 3.96Å; L279-I376 HydrophobicContact CD1-CG2 4.08Å; L280-I376 HydrophobicContact CB-CG1 4.37Å; L280-I376 HydrophobicContact CD1-CG1 4.14Å; L285-I376 HydrophobicContact CD2-CD1 3.71Å; G302-I376 WeakPolarHBondContact O-CA 3.45Å; I358-I376 WeakPolarHBondContact CA-O 3.43Å; A359-I376 HydrophobicContact CB-CB 4.45Å; A359-I376 PolarHBondContact N-O 2.88Å; A359-I376 PolarHBondContact O-N 3.22Å; K374-I376 HydrophobicContact CD-CD1 4.43Å; K374-I376 VanDerWaalsContact CE-CD1 3.48Å; K374-I376 HydrophobicContact CG-CD1 4.43Å; I376-V378 HydrophobicContact CG2-CG2 3.82Å
377L97.8Very high85Confident0 Ų037.5 Ų37.50%019%0.186CC..EExtended strand (participates in β ladder)trans-111126.6165.1174.765.7000108.7V246 G302 C314 L317 I318 W321 V356 I358V246-L377 HydrophobicContact CG1-CD1 4.45Å; V246-L377 HydrophobicContact CG2-CD1 4.08Å; G302-L377 PolarHBondContact N-O 3.13Å; G302-L377 PolarHBondContact O-N 2.91Å; C314-L377 HydrophobicContact CB-CD1 4.39Å; C314-L377 HydrophobicContact CB-CD2 3.96Å; L317-L377 HydrophobicContact CB-CD2 4.17Å; L317-L377 HydrophobicContact CD1-CB 3.77Å; L317-L377 HydrophobicContact CD1-CD2 4.19Å; I318-L377 HydrophobicContact CG1-CD2 4.05Å; W321-L377 HydrophobicContact CH2-CD2 3.54Å; W321-L377 HydrophobicContact CH2-CG 3.93Å; W321-L377 HydrophobicContact CZ2-CD2 4.29Å; W321-L377 HydrophobicContact CZ3-CD2 3.87Å; V356-L377 HydrophobicContact CG1-CD1 3.9Å; I358-L377 HydrophobicContact CD1-CD1 4.45Å; I358-L377 HydrophobicContact CG1-CD1 3.84Å
378V98.4Very high86.1Confident0 Ų035.1 Ų35.10%018%0.177CC..EExtended strand (participates in β ladder)trans-118.1122.1171.3179.60000108.4A272 A276 L279 L301 V356 G357 I376 L380A272-V378 HydrophobicContact CB-CB 4.3Å; A272-V378 HydrophobicContact CB-CG1 3.99Å; A276-V378 HydrophobicContact CB-CB 4.38Å; A276-V378 HydrophobicContact CB-CG2 3.79Å; L279-V378 HydrophobicContact CD1-CG2 4.07Å; L301-V378 HydrophobicContact CD2-CB 4.23Å; L301-V378 HydrophobicContact CD2-CG1 3.85Å; L301-V378 HydrophobicContact CD2-CG2 3.85Å; V356-V378 WeakPolarHBondContact CA-O 3.46Å; G357-V378 PolarHBondContact N-O 2.94Å; G357-V378 PolarHBondContact O-N 2.78Å; I376-V378 HydrophobicContact CG2-CG2 3.82Å; V378-L380 HydrophobicContact CG1-CD2 3.6Å; V378-L380 HydrophobicContact CG1-CG 3.96Å
379C98.8Very high87.3Confident0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-114.2120.1168.6-63.50000109.2E299 N300 W321 I354 G355 Y381E299-C379 WeakPolarHBondContact CA-O 3.42Å; N300-C379 HydrophobicContact CB-CB 4.39Å; N300-C379 PolarHBondContact N-O 3.39Å; N300-C379 PolarHBondContact O-N 3.33Å; W321-C379 HydrophobicContact CZ3-CB 4.38Å; I354-C379 HydrophobicContact CD1-CB 4.25Å; G355-C379 CarbonylContact O-C 3.59Å; G355-C379 WeakPolarHBondContact O-CA 3.44Å; C379-Y381 HydrophobicContact CB-CE1 4.46Å; C379-Y381 HydrophobicContact CB-CE2 3.82Å; C379-Y381 VanDerWaalsContact CB-OH 3.26Å; C379-Y381 WeakPolarHBondContact CB-OH 3.48Å; C379-Y381 VanDerWaalsContact O-CE2 3.29Å; C379-Y381 WeakPolarHBondContact O-CE2 3.33Å
380L98.2Very high88.8Confident0 Ų026.6 Ų26.60%014%0.137CC..EExtended strand (participates in β ladder)trans-105.6134.5177-55.6-175.8000109.8L268 M271 A272 Y290 V297 G298 E299 I354 G355 V378L268-L380 HydrophobicContact CD2-CB 4.09Å; M271-L380 HydrophobicContact CB-CD1 3.85Å; A272-L380 HydrophobicContact CB-CD1 3.83Å; A272-L380 HydrophobicContact CB-CG 3.78Å; Y290-L380 HydrophobicContact CD2-CD1 3.76Å; Y290-L380 HydrophobicContact CE2-CD1 4.31Å; V297-L380 HydrophobicContact CB-CB 4.2Å; V297-L380 HydrophobicContact CG2-CB 4.3Å; V297-L380 HydrophobicContact CG2-CD1 4.35Å; V297-L380 HydrophobicContact CG2-CD2 3.85Å; V297-L380 HydrophobicContact CG2-CG 4.38Å; G298-L380 CarbonylContact O-C 3.54Å; G298-L380 VanDerWaalsContact O-CA 3.26Å; G298-L380 WeakPolarHBondContact O-CA 3.41Å; E299-L380 HydrophobicContact CB-CD2 4.43Å; E299-L380 HydrophobicContact CG-CD2 3.75Å; I354-L380 CarbonylContact C-O 3.42Å; I354-L380 VanDerWaalsContact CA-O 3.25Å; I354-L380 WeakPolarHBondContact CA-O 3.45Å; G355-L380 PolarHBondContact N-O 3.26Å; G355-L380 PolarHBondContact O-N 3.47Å; V378-L380 HydrophobicContact CG1-CD2 3.6Å; V378-L380 HydrophobicContact CG1-CG 3.96Å
381Y97.1Very high90.2Very high0 Ų017.8 Ų17.80%010%0.097CC..EExtended strand (participates in β ladder)trans-120.2144.6-175-51.2-93.7000111.6H250 L262 V297 G298 N300 Q345 R353 I354 C379H250-Y381 AromaticContact CD2-CE1 3.77Å; H250-Y381 PolarHBondContact CD2-OH 2.94Å; H250-Y381 AromaticContact NE2-CE1 3.84Å; H250-Y381 AromaticContact NE2-CZ 3.69Å; H250-Y381 PolarHBondContact NE2-OH 3.17Å; L262-Y381 HydrophobicContact CD1-CD1 3.89Å; L262-Y381 HydrophobicContact CD1-CE1 3.93Å; V297-Y381 CarbonylContact C-O 3.59Å; V297-Y381 WeakPolarHBondContact CA-O 3.34Å; G298-Y381 PolarHBondContact N-O 2.89Å; G298-Y381 WeakPolarHBondContact O-CD2 3.25Å; G298-Y381 PolarHBondContact O-N 3.38Å; N300-Y381 HydrophobicContact CB-CE2 3.91Å; N300-Y381 PolarHBondContact ND2-OH 2.88Å; N300-Y381 VanDerWaalsContact ND2-OH 3.13Å; Q345-Y381 HydrophobicContact CG-CD1 4.35Å; Q345-Y381 HydrophobicContact CG-CD2 3.28Å; Q345-Y381 HydrophobicContact CG-CE1 4.41Å; Q345-Y381 HydrophobicContact CG-CE2 3.35Å; Q345-Y381 HydrophobicContact CG-CG 3.82Å; R353-Y381 WeakPolarHBondContact O-CA 3.37Å; I354-Y381 HydrophobicContact CD1-CD1 4.38Å; I354-Y381 HydrophobicContact CD1-CE1 3.76Å; I354-Y381 HydrophobicContact CG1-CD1 4.22Å; I354-Y381 HydrophobicContact CG1-CE1 4.06Å; C379-Y381 HydrophobicContact CB-CE1 4.46Å; C379-Y381 HydrophobicContact CB-CE2 3.82Å; C379-Y381 VanDerWaalsContact CB-OH 3.26Å; C379-Y381 WeakPolarHBondContact CB-OH 3.48Å; C379-Y381 VanDerWaalsContact O-CE2 3.29Å; C379-Y381 WeakPolarHBondContact O-CE2 3.33Å
382H90.1Very high91.1Very high11 Ų1118.1 Ų18.15%0.05110%0.1CC..EExtended strand (participates in β ladder)trans-143.2133174.5176.4-73.3000112.2L268 Y292 M295 E352 R353L268-H382 HydrophobicContact CD1-CB 3.87Å; Y292-H382 HydrophobicContact CD1-CB 3.86Å; Y292-H382 AromaticContact CD1-CD2 3.57Å; Y292-H382 AromaticContact CD1-CG 3.71Å; Y292-H382 HydrophobicContact CE1-CB 4.4Å; Y292-H382 PolarHBondContact O-CD2 2.86Å; Y292-H382 VanDerWaalsContact O-CD2 3.26Å; Y292-H382 PolarHBondContact O-NE2 2.82Å; M295-H382 WeakPolarHBondContact CE-CE1 3.4Å; M295-H382 WeakPolarHBondContact CE-NE2 3.41Å; E352-H382 PolarHBondContact N-O 2.94Å; R353-H382 HydrophobicContact CB-CB 4.44Å; R353-H382 PolarHBondContact N-O 3.4Å; R353-H382 PolarHBondContact O-N 2.98Å
383P92Very high91.5Very high10 Ų1019.4 Ų19.47%0.06511%0.107CC..SBendcis-52.6157.9-15.8-24.931.8000113.2M295 S350 S351M295-P383 HydrophobicContact CE-CB 3.88Å; M295-P383 HydrophobicContact CE-CG 3.89Å; M295-P383 HydrophobicContact SD-CB 4.44Å; S350-P383 VanDerWaalsContact O-CD 3.28Å; S350-P383 WeakPolarHBondContact O-CD 3.35Å; S351-P383 WeakPolarHBondContact CB-O 3.45Å; S351-P383 PolarHBondContact OG-O 3.31Å
384P90.3Very high91.7Very high7 Ų719.4 Ų19.45%0.04511%0.107CC..  trans-63.4150.8177.827.2-34.8000111.6P136 K296P136-P384 HydrophobicContact CG-CG 4.36Å; K296-P384 VanDerWaalsContact O-CB 3.27Å; K296-P384 WeakPolarHBondContact O-CB 3.21Å; K296-P384 WeakPolarHBondContact O-CD 3.46Å; K296-P384 WeakPolarHBondContact O-CG 3.43Å
385G91.4Very high92Very high3 Ų318.9 Ų18.93%0.03110%0.104CC..SBendtrans-94.6-171.516700000112.6W348 V387W348-G385 VanDerWaalsContact CG-CA 3.43Å; G385-V387 PolarHBondContact O-N 2.82Å
386N93.1Very high92Very high8 Ų823.5 Ų23.54%0.04312%0.124CC..  trans62.127.6175.2-60.2-28.4000114.6L140 I337 G341 T344 W348 F391L140-N386 PolarHBondContact N-O 2.89Å; I337-N386 HydrophobicContact CD1-CB 4.31Å; I337-N386 HydrophobicContact CG2-CB 4.15Å; G341-N386 PolarHBondContact O-ND2 2.78Å; T344-N386 VanDerWaalsContact CB-OD1 3.31Å; T344-N386 WeakPolarHBondContact CB-OD1 3.34Å; T344-N386 PolarHBondContact OG1-OD1 3.25Å; W348-N386 VanDerWaalsContact CE3-N 3.34Å; W348-N386 VanDerWaalsContact CZ3-N 3.32Å; N386-F391 HydrophobicContact CB-CZ 4.11Å
387V85.1Confident91.9Very high7 Ų729.1 Ų29.14%0.04215%0.149CC..BIsolated β-bridgetrans-77.9131.1175.6-168.90000109W348 G385 Q390 F391W348-V387 HydrophobicContact CH2-CB 4.46Å; W348-V387 WeakPolarHBondContact CH2-O 3.17Å; W348-V387 HydrophobicContact CZ2-CB 4.14Å; W348-V387 HydrophobicContact CZ2-CG2 4.35Å; G385-V387 PolarHBondContact O-N 2.82Å; V387-Q390 HydrophobicContact CB-CB 4.43Å; V387-Q390 HydrophobicContact CB-CG 4.45Å; V387-Q390 HydrophobicContact CG1-CG 4.47Å; V387-Q390 PolarHBondContact O-N 2.9Å; V387-F391 WeakPolarHBondContact O-CD2 3.39Å; V387-F391 WeakPolarHBondContact O-CE2 3.43Å
388I81.3Confident91.7Very high57 Ų5731.6 Ų31.629%0.29217%0.169SC..THydrogen-bonded Turntrans-59.2147.3-179-162.8167.9000111.2N138 L140 Q390N138-I388 HydrophobicContact CB-CG2 4.01Å; N138-I388 WeakPolarHBondContact O-CB 3.4Å; N138-I388 WeakPolarHBondContact O-CG2 3.49Å; L140-I388 HydrophobicContact CD1-CD1 4.21Å; I388-Q390 PolarHBondContact O-N 3.49Å
389S81.9Confident91.2Very high77 Ų7737.2 Ų37.254%0.53820%0.198SC..THydrogen-bonded Turntrans64.815.7179.3-510000114.3E333E333-S389 VanDerWaalsContact CD-CA 3.49Å; E333-S389 WeakPolarHBondContact OE2-CA 3.3Å; E333-S389 PolarHBondContact OE2-N 2.97Å
390Q86.2Confident89.6Confident9 Ų950.1 Ų50.14%0.04225%0.254CS..  trans-127.92.7-179.7-62.7-179.236.600113.4S56 S57 E333 W348 V387 I388 Q392 N393 N394S56-Q390 PolarHBondContact O-NE2 3.49Å; S57-Q390 VanDerWaalsContact O-CD 3.31Å; S57-Q390 PolarHBondContact O-OE1 3.33Å; S57-Q390 VanDerWaalsContact O-OE1 3.12Å; E333-Q390 PolarHBondContact OE1-N 3.34Å; E333-Q390 PolarHBondContact OE2-N 3.37Å; W348-Q390 HydrophobicContact CH2-CB 3.83Å; W348-Q390 HydrophobicContact CZ2-CB 3.75Å; V387-Q390 HydrophobicContact CB-CB 4.43Å; V387-Q390 HydrophobicContact CB-CG 4.45Å; V387-Q390 HydrophobicContact CG1-CG 4.47Å; V387-Q390 PolarHBondContact O-N 2.9Å; I388-Q390 PolarHBondContact O-N 3.49Å; Q390-Q392 PolarHBondContact O-N 2.8Å; Q390-N393 PolarHBondContact O-N 3.46Å; Q390-N394 WeakPolarHBondContact O-CB 3.4Å; Q390-N394 PolarHBondContact O-N 2.92Å; Q390-N394 VanDerWaalsContact O-N 3.14Å; Q390-N394 PolarHBondContact O-ND2 3.11Å
391F92.2Very high89.1Confident0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-65.7-40.1-177.8-76.2-102.1000111.1L140 Y328 E333 P334 I337 T344 W348 N386 V387 N393 N394 V395L140-F391 HydrophobicContact CB-CE2 4.29Å; L140-F391 HydrophobicContact CB-CZ 4.39Å; L140-F391 HydrophobicContact CD2-CE2 3.89Å; L140-F391 HydrophobicContact CD2-CZ 3.91Å; Y328-F391 HydrophobicContact CE2-CD1 4.13Å; E333-F391 PolarHBondContact OE1-N 3.38Å; E333-F391 VanDerWaalsContact OE2-CD2 3.25Å; E333-F391 WeakPolarHBondContact OE2-CD2 3.09Å; E333-F391 PolarHBondContact OE2-N 3.43Å; P334-F391 HydrophobicContact CG-CD1 3.69Å; P334-F391 HydrophobicContact CG-CD2 4.09Å; P334-F391 HydrophobicContact CG-CE1 3.77Å; P334-F391 HydrophobicContact CG-CE2 4.15Å; P334-F391 HydrophobicContact CG-CG 3.87Å; P334-F391 HydrophobicContact CG-CZ 4Å; I337-F391 HydrophobicContact CG2-CE1 4.02Å; I337-F391 HydrophobicContact CG2-CZ 3.52Å; T344-F391 HydrophobicContact CG2-CD1 4.1Å; T344-F391 HydrophobicContact CG2-CE1 4.01Å; W348-F391 HydrophobicContact CH2-CD2 4.25Å; W348-F391 HydrophobicContact CH2-CE2 4.47Å; W348-F391 HydrophobicContact CH2-CG 4.35Å; W348-F391 AromaticContact CZ3-CD1 3.9Å; W348-F391 HydrophobicContact CZ3-CD1 3.9Å; W348-F391 HydrophobicContact CZ3-CD2 4.27Å; W348-F391 HydrophobicContact CZ3-CE1 4.06Å; W348-F391 HydrophobicContact CZ3-CE2 4.43Å; W348-F391 AromaticContact CZ3-CG 4Å; W348-F391 HydrophobicContact CZ3-CG 4Å; W348-F391 HydrophobicContact CZ3-CZ 4.32Å; N386-F391 HydrophobicContact CB-CZ 4.11Å; V387-F391 WeakPolarHBondContact O-CD2 3.39Å; V387-F391 WeakPolarHBondContact O-CE2 3.43Å; F391-N393 VanDerWaalsContact C-N 3.28Å; F391-N393 PolarHBondContact O-N 2.61Å; F391-N394 PolarHBondContact O-N 3.3Å; F391-V395 HydrophobicContact CD1-CG2 4.1Å; F391-V395 WeakPolarHBondContact O-CA 3.42Å; F391-V395 WeakPolarHBondContact O-CB 3.2Å; F391-V395 PolarHBondContact O-N 3.27Å
392Q89.6Confident88.7Confident101 Ų10155.4 Ų55.447%0.47228%0.281SS..Hα-helixtrans-61.2-37.1179.6-66-175.531.800112.9E333 Q390E333-Q392 HydrophobicContact CG-CG 4.41Å; E333-Q392 PolarHBondContact OE1-N 3.11Å; Q390-Q392 PolarHBondContact O-N 2.8Å
393N89.3Confident88.6Confident106 Ų10657.9 Ų57.957%0.56729%0.294SS*.Hα-helixtrans-76.9-29.4179.2-68.6-23.3000112.2S349 Q390 F391S349-N393 PolarHBondContact OG-O 2.87Å; Q390-N393 PolarHBondContact O-N 3.46Å; F391-N393 VanDerWaalsContact C-N 3.28Å; F391-N393 PolarHBondContact O-N 2.61Å
394N94.1Very high88.4Confident1 Ų160.7 Ų60.71%0.00531%0.307CS..Hα-helixtrans-105.4-21-170-77.6-73.5000115.8V347 W348 S349 S350 Q390 F391V347-N394 VanDerWaalsContact O-O 3.07Å; W348-N394 HydrophobicContact CD2-CB 3.33Å; W348-N394 HydrophobicContact CE3-CB 3.58Å; W348-N394 HydrophobicContact CG-CB 3.9Å; W348-N394 HydrophobicContact CH2-CB 3.86Å; W348-N394 HydrophobicContact CZ2-CB 3.65Å; W348-N394 VanDerWaalsContact CZ2-ND2 3.35Å; W348-N394 WeakPolarHBondContact CZ2-ND2 3.16Å; W348-N394 HydrophobicContact CZ3-CB 3.83Å; W348-N394 PolarHBondContact NE1-OD1 3.35Å; S349-N394 PolarHBondContact N-O 2.75Å; S349-N394 PolarHBondContact N-OD1 3.47Å; S349-N394 PolarHBondContact OG-OD1 3.37Å; S350-N394 VanDerWaalsContact CB-OD1 3.25Å; S350-N394 WeakPolarHBondContact CB-OD1 3.27Å; S350-N394 PolarHBondContact N-OD1 3.1Å; S350-N394 PolarHBondContact OG-OD1 2.71Å; Q390-N394 WeakPolarHBondContact O-CB 3.4Å; Q390-N394 PolarHBondContact O-N 2.92Å; Q390-N394 VanDerWaalsContact O-N 3.14Å; Q390-N394 PolarHBondContact O-ND2 3.11Å; F391-N394 PolarHBondContact O-N 3.3Å
395V96Very high88.3Confident0 Ų064.1 Ų64.10%032%0.324CS..  trans-118.185.2-175.5-1710000109.1Y328 F330 F343 T344 V347 W348 F391Y328-V395 HydrophobicContact CD1-CG1 3.67Å; Y328-V395 HydrophobicContact CE1-CB 3.79Å; Y328-V395 HydrophobicContact CE1-CG1 3.21Å; Y328-V395 HydrophobicContact CE2-CG1 4.48Å; Y328-V395 HydrophobicContact CG-CG1 4.46Å; F330-V395 HydrophobicContact CE1-CG1 4.26Å; F343-V395 HydrophobicContact CE1-CG1 3.78Å; F343-V395 HydrophobicContact CZ-CG1 4.14Å; T344-V395 HydrophobicContact CG2-CG1 4.13Å; T344-V395 HydrophobicContact CG2-CG2 4Å; V347-V395 HydrophobicContact CG2-CG1 3.78Å; W348-V395 HydrophobicContact CE3-CG2 3.84Å; W348-V395 HydrophobicContact CZ3-CG2 3.99Å; F391-V395 HydrophobicContact CD1-CG2 4.1Å; F391-V395 WeakPolarHBondContact O-CA 3.42Å; F391-V395 WeakPolarHBondContact O-CB 3.2Å; F391-V395 PolarHBondContact O-N 3.27Å
396K94Very high88.1Confident96 Ų9668.1 Ų68.142%0.41734%0.343SS..PPolyproline II helixtrans-83.9155.1-177-62.1176.6-174.9173.80111.1H257 F330H257-K396 PolarHBondContact ND1-O 2.71Å; F330-K396 VanDerWaalsContact CE1-O 3.22Å; F330-K396 WeakPolarHBondContact CE1-O 3.38Å
397K94.1Very high87.7Confident119 Ų11972.4 Ų72.452%0.51737%0.365SS..PPolyproline II helixtrans-64.1151.3170.7-72.6-178.9-180179.40110.5F330 I399F330-K397 HydrophobicContact CB-CD 4.12Å; F330-K397 VanDerWaalsContact CB-CE 3.41Å; F330-K397 HydrophobicContact CB-CG 3.51Å; F330-K397 HydrophobicContact CD1-CB 4.31Å; F330-K397 HydrophobicContact CD1-CG 3.64Å; F330-K397 HydrophobicContact CD2-CG 3.96Å; F330-K397 HydrophobicContact CE1-CG 4.35Å; F330-K397 HydrophobicContact CG-CB 4.48Å; F330-K397 HydrophobicContact CG-CD 4.39Å; F330-K397 HydrophobicContact CG-CG 3.42Å; F330-K397 VanDerWaalsContact CG-CG 3.42Å; K397-I399 PolarHBondContact O-N 3.16Å
398A92.1Very high87.9Confident51 Ų5177.5 Ų77.542%0.42139%0.389SS..PPolyproline II helixtrans-61.8136172.200000110.7Q256 K400Q256-A398 CarbonylContact O-C 3.6Å; Q256-A398 WeakPolarHBondContact O-CA 3.23Å; A398-K400 PolarHBondContact O-N 3.26Å
399I88.6Confident88.5Confident118 Ų11879.2 Ų79.261%0.60540%0.397SS*.PPolyproline II helixtrans-73.4118.9172.7-54.2170.4000106.1Q256 K397Q256-I399 PolarHBondContact O-N 3.14Å; K397-I399 PolarHBondContact O-N 3.16Å
400K64Low89.1Confident272 Ų27279.4 Ų79.4100%1.18339%0.385SS*.  trans-75.10174.5-81.2-171.3175.7-175.50111.7A398A398-K400 PolarHBondContact O-N 3.26Å

Retrieved 400 of 400 residues in 121.2 ms (Link to these results)

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